Registration Dossier

Identification

Chemical structure
Display Name:
Reference substance 001
CAS Number:
97862-59-4
Molecular formula:
Molecular formula, molecular weight and SMILES notation cannot be given as the substance is a mixture

Type of substance

Composition:
UVCB
Origin:
organic

Other names

Trade names:
CHINT: BET C8-18-amidopropyl diMe
Phase I REACH Expertenentscheidung
Rokamina

Total tonnage band

Total range:
10 000 - 100 000 tonnes per annum

REACH

Registered as:
FULL
Submitted:
Joint Submission

Publication dates

First published:
20-Dec-2010
Last modified:
17-Aug-2019

Chemical safety assessment

Performed for this substance:
YES

Compositions open all close all

Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 3
Chemical structure
Reference substance name:
Chloroacetic acid
EC Number:
201-178-4
EC Name:
Chloroacetic acid
CAS Number:
79-11-8
Molecular formula:
C2H3ClO2
IUPAC Name:
acetyl chloride
Constituent 4
Chemical structure
Reference substance name:
Dichloroacetic acid
EC Number:
201-207-0
EC Name:
Dichloroacetic acid
CAS Number:
79-43-6
Molecular formula:
C2H2Cl2O2
IUPAC Name:
dichloroacetic acid
Constituent 5
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Constituent 6
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 7
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 8
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 9
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 10
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 11
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Chemical structure
Reference substance name:
N-(carboxymethyl)-3-hexanamido-N,N-dimethylpropan-1-aminium hydroxide
Molecular formula:
C13H26N2O3
IUPAC Name:
N-(carboxymethyl)-3-hexanamido-N,N-dimethylpropan-1-aminium hydroxide
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Chemical structure
Reference substance name:
Glycerol
EC Number:
200-289-5
EC Name:
Glycerol
CAS Number:
56-81-5
Molecular formula:
C3H8O3
IUPAC Name:
glycerol
Constituent 8
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 9
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 10
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Constituent 11
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Reference substance name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Molecular formula:
C25H48N2O3
IUPAC Name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Constituent 8
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Reference substance name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Molecular formula:
C25H48N2O3
IUPAC Name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Constituent 8
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 9
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 10
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 11
Chemical structure
Reference substance name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
EC Number:
930-947-3
Molecular formula:
R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
IUPAC Name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 12
Chemical structure
Reference substance name:
Glycerol
EC Number:
200-289-5
EC Name:
Glycerol
CAS Number:
56-81-5
Molecular formula:
C3H8O3
IUPAC Name:
glycerol
Constituent 13
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 8
Chemical structure
Reference substance name:
Glycerol
EC Number:
200-289-5
EC Name:
Glycerol
CAS Number:
56-81-5
Molecular formula:
C3H8O3
IUPAC Name:
glycerol
Constituent 9
Chemical structure
Reference substance name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
EC Number:
930-947-3
Molecular formula:
R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
IUPAC Name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 10
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 11
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Type:
boundary composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Chemical structure
Reference substance name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsaturated acyl) derivs., inner salts
IUPAC Name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsaturated acyl) derivs., inner salts
Constituent 8
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 9
Chemical structure
Reference substance name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
EC Number:
930-947-3
Molecular formula:
R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
IUPAC Name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 10
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
Reference substance 001
EC Number:
931-296-8
CAS Number:
97862-59-4
Molecular formula:
Molecular formula, molecular weight and SMILES notation cannot be given as the substance is a mixture
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 8
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 9
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 10
Chemical structure
Reference substance name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
EC Number:
930-947-3
Molecular formula:
R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
IUPAC Name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 11
Chemical structure
Reference substance name:
Glycerol
EC Number:
200-289-5
EC Name:
Glycerol
CAS Number:
56-81-5
Molecular formula:
C3H8O3
IUPAC Name:
glycerol
Constituent 12
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
CAS Number:
73772-46-0
Molecular formula:
C15H30N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide
Constituent 2
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
EC Number:
277-599-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
CAS Number:
73772-45-9
Molecular formula:
C17H34N2O3
IUPAC Name:
N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 3
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
EC Number:
224-292-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
CAS Number:
4292-10-8
Molecular formula:
C19H38N2O3
IUPAC Name:
N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide
Constituent 4
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
EC Number:
261-684-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
CAS Number:
59272-84-3
Molecular formula:
C21H42N2O3
IUPAC Name:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
Constituent 5
Chemical structure
Reference substance name:
Pendecamaine
EC Number:
251-306-8
EC Name:
Pendecamaine
CAS Number:
32954-43-1
Molecular formula:
C23H46N2O3
IUPAC Name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate
Constituent 6
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
EC Number:
228-227-2
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
CAS Number:
6179-44-8
Molecular formula:
C25H50N2O3
IUPAC Name:
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Constituent 7
Reference substance name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Molecular formula:
Oleic C25H48N2O3 MW 442 Linolic C25H46N2O3 MW 440 Linelonic C25H44N2O3 MW 438
IUPAC Name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-(C18 unsatd. acyl) derivs., hydroxides, inner salts
Constituent 8
Chemical structure
Reference substance name:
Sodium chloride
EC Number:
231-598-3
EC Name:
Sodium chloride
CAS Number:
7647-14-5
Molecular formula:
ClNa
IUPAC Name:
sodium chloride
Constituent 9
Chemical structure
Reference substance name:
Glycerol
EC Number:
200-289-5
EC Name:
Glycerol
CAS Number:
56-81-5
Molecular formula:
C3H8O3
IUPAC Name:
glycerol
Constituent 10
Reference substance name:
Amides, C8-18 even numbered, N-(3-(dimethylamino)propyl)
Molecular formula:
R-CO(NH)(CH2)(CH2)(CH2)N(CH3)2 whereas R= C8-C18 (even numbered)
IUPAC Name:
Amides, C8-18 even numbered, N-(3-(dimethylamino)propyl)
Constituent 11
Chemical structure
Reference substance name:
Glycollic acid
EC Number:
201-180-5
EC Name:
Glycollic acid
CAS Number:
79-14-1
Molecular formula:
C2H4O3
IUPAC Name:
glycol acid
Constituent 12
Chemical structure
Reference substance name:
3-aminopropyldimethylamine
EC Number:
203-680-9
EC Name:
3-aminopropyldimethylamine
CAS Number:
109-55-7
Molecular formula:
C5H14N2
IUPAC Name:
N,N-dimethylpropane-1,3-diamine
Constituent 13
Chemical structure
Reference substance name:
Chloroacetic acid
EC Number:
201-178-4
EC Name:
Chloroacetic acid
CAS Number:
79-11-8
Molecular formula:
C2H3ClO2
IUPAC Name:
acetyl chloride
Constituent 14
Chemical structure
Reference substance name:
Dichloroacetic acid
EC Number:
201-207-0
EC Name:
Dichloroacetic acid
CAS Number:
79-43-6
Molecular formula:
C2H2Cl2O2
IUPAC Name:
dichloroacetic acid
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
2-((3-hexanamidopropyl)dimethylammonio)acetate
Molecular formula:
C13H26N2O3
IUPAC Name:
2-((3-hexanamidopropyl)dimethylammonio)acetate
Constituent 2
Chemical structure
Reference substance name:
2-(dimethyl(3-octanamidopropyl)ammonio)acetate
Molecular formula:
C15H30N2O3
IUPAC Name:
2-(dimethyl(3-octanamidopropyl)ammonio)acetate
Constituent 3
Chemical structure
Reference substance name:
2-((3-decanamidopropyl)dimethylammonio)acetate
Molecular formula:
C17H34N2O3
IUPAC Name:
2-((3-decanamidopropyl)dimethylammonio)acetate
Constituent 4
Chemical structure
Reference substance name:
2-((3-dodecanamidopropyl)dimethylammonio)acetate
Molecular formula:
C19H38N2O3
IUPAC Name:
2-((3-dodecanamidopropyl)dimethylammonio)acetate
Constituent 5