Registration Dossier

Identification

Chemical structure
Display Name:
Resin acids and Rosin acids, calcium salts
EC Number:
232-694-8
EC Name:
Resin acids and Rosin acids, calcium salts
CAS Number:
9007-13-0
Molecular formula:
C40H58CaO4
IUPAC Name:
octacalcium (3R)-1,3-dimethyl-2-{2-[3-(propan-2-yl)phenyl]ethyl}cyclohexane-1-carboxylate (4aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalene-1-carboxylate (4aR)-1,4a-dimethyl-6-methylidene-5-[2-(oxolan-3-yl)ethyl]-decahydronaphthalene-1-carboxylate (4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylate (4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate (4aR)-5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylate (4aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate bis((4aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate) (4aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate (4aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carboxylate (4aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate (4aS)-1,4a-dimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene-1-carboxylate (4aS)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate

Type of substance

Composition:
UVCB
Origin:
organic

Other names

Trade names:
Calcium Rosinate
Resin acids and Rosin acids, calcium salts

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:
03-Oct-2019

Chemical safety assessment

Performed for this substance:
YES

Compositions open all close all

Type:
legal entity composition of the substance


Constituent 1
Reference substance name:
Not applicable
Molecular formula:
C40H54O4Ca, C40H56O4Ca, C40H58O4Ca
IUPAC Name:
Not applicable
Constituent 2
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 3
Chemical structure
Reference substance name:
calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 4
Reference substance name:
not applicable, complex UVCB substance of non identified components
Molecular formula:
not applicable, complex UVCB substance of non identified components
IUPAC Name:
not applicable, complex UVCB substance of non identified components
Constituent 5
Chemical structure
Reference substance name:
calcium di-(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate 
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium di-(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate 
Constituent 6
Chemical structure
Reference substance name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxlate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxlate
Constituent 7
Chemical structure
Reference substance name:
calcium (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Constituent 8
Chemical structure
Reference substance name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Molecular formula:
C40H54O4Ca
IUPAC Name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Constituent 9
Chemical structure
Reference substance name:
calcium (1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
calcium, 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R-(1alpha,4a beta,4b alpha,7alpha,10a alpha))-
Molecular formula:
C40H58CaO4
IUPAC Name:
calcium, 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R-(1alpha,4a beta,4b alpha,7alpha,10a alpha))-
Constituent 2
Chemical structure
Reference substance name:
calcium 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Constituent 3
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Molecular formula:
2C20H33O2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Constituent 4
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
Molecular formula:
C40H62CaO4
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
Constituent 5
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 6
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
(C20H29O2)2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 7
Chemical structure
Reference substance name:
calcium 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Constituent 8
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
Type:
legal entity composition of the substance
State Form:
solid: particulate/powder


Constituent 1
Chemical structure
Reference substance name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10ahexahydrophenanthrene-1-carboxylate
Molecular formula:
C40H54O4Ca
IUPAC Name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10ahexahydrophenanthrene-1-carboxylate
Constituent 2
Chemical structure
Reference substance name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2Hphenanthrene-1-carboxlate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2Hphenanthrene-1-carboxlate
Constituent 3
Chemical structure
Reference substance name:
calcium 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Constituent 4
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 5
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
2C20H29O2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 6
Chemical structure
Reference substance name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
(C20H29O2)2.Ca
IUPAC Name:
calcium 7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Reference substance name:
Not applicable
Molecular formula:
C40H54O4Ca, C40H56O4Ca, C40H58O4Ca
IUPAC Name:
Not applicable
Constituent 2
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 3
Chemical structure
Reference substance name:
calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate
Constituent 4
Reference substance name:
not applicable, complex UVCB substance of non identified components
Molecular formula:
not applicable, complex UVCB substance of non identified components
IUPAC Name:
not applicable, complex UVCB substance of non identified components
Constituent 5
Chemical structure
Reference substance name:
calcium di-(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate 
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium di-(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate 
Constituent 6
Chemical structure
Reference substance name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxlate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxlate
Constituent 7
Chemical structure
Reference substance name:
calcium (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Constituent 8
Chemical structure
Reference substance name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Molecular formula:
C40H54O4Ca
IUPAC Name:
Calcium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Constituent 9
Chemical structure
Reference substance name:
calcium (1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium (1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10, 10a-octahydro-2H-phenanthrene-1-carboxylate
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
Abietic acid
EC Number:
208-178-3
EC Name:
Abietic acid
CAS Number:
514-10-3
Molecular formula:
C20H30O2
IUPAC Name:
abieta-7,13-dien-18-oic acid
Constituent 2
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 3
Chemical structure
Reference substance name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
EC Number:
217-102-8
EC Name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
CAS Number:
1740-19-8
Molecular formula:
C20H28O2
IUPAC Name:
abieta-8,11,13-trien-18-oic acid
Constituent 4
Chemical structure
Reference substance name:
Calcium bis((1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate)
CAS Number:
66604-45-3
Molecular formula:
C40H54O4Ca
IUPAC Name:
Calcium bis((1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate)
Constituent 5
Chemical structure
Reference substance name:
1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CAS Number:
1945-53-5
Molecular formula:
C20H30O2
IUPAC Name:
1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Constituent 6
Chemical structure
Reference substance name:
calcium bis((1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylate)
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium bis((1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylate)
Constituent 7
Chemical structure
Reference substance name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
CAS Number:
471-77-2
Molecular formula:
C20H30O2
IUPAC Name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Constituent 8
Chemical structure
Reference substance name:
calcium bis((1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate)
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium bis((1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate)
Constituent 9
Chemical structure
Reference substance name:
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Molecular formula:
C20H30O2
IUPAC Name:
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Constituent 10
Chemical structure
Reference substance name:
calcium bis((1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate)
Molecular formula:
C40H58O4Ca
IUPAC Name:
calcium bis((1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate)
Constituent 11
Reference substance name:
Abietic type resin acids
Molecular formula:
not applicable due to UVCB substance
IUPAC Name:
Abietic type resin acids
Constituent 12
Reference substance name:
Abietic type resin acid calcium salts
Molecular formula:
not applicable, complex UVCB substance including abietic type resin acid calcium salts
IUPAC Name:
Abietic type resin acid calcium salts
Constituent 13
Reference substance name:
Pimaric type resin acids
Molecular formula:
not applicable due to UVCB substance
IUPAC Name:
Pimaric type resin acids
Constituent 14
Reference substance name:
Pimaric type resin acid calcium salts
Molecular formula:
not applicable, complex UVCB substance including pimaric type resin acid calcium salts
IUPAC Name:
Pimaric type resin acid calcium salts
Constituent 15
Reference substance name:
Di hydro resin acids (combined)
Molecular formula:
not applicable due to UVCB substance
IUPAC Name:
Di hydro resin acids (combined)
Constituent 16
Reference substance name:
Di hydro resin acid calcium salts (combined)
Molecular formula:
not applicable, complex UVCB substance including dihydro type resin acid calcium salts
IUPAC Name:
Di hydro resin acid calcium salts (combined)
Constituent 17
Reference substance name:
Methyl dehydro abietic acids
Molecular formula:
Not applicable due to UVCB substance
IUPAC Name:
Methyl dehydro abietic acids
Constituent 18
Reference substance name:
Methyl dehydro abietic acid calcium salts
Molecular formula:
Not applicable due to UVCB substance
IUPAC Name:
Methyl dehydro abietic acid calcium salts
Constituent 19
Reference substance name:
Neutral fraction
Molecular formula:
Not applicable due to UVCB substance
IUPAC Name:
Neutral fraction
Constituent 20
Reference substance name:
Unknown constituents
Molecular formula:
not applicable (i.e., UVCB substance)
IUPAC Name:
Unknown constituents
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 2
Chemical structure
Reference substance name:
calcium diabieta-8,11,13-trien-18-oate
CAS Number:
66604-45-3
Molecular formula:
C20 H27 O2 Ca0.5
IUPAC Name:
calcium diabieta-8,11,13-trien-18-oate
Constituent 3
Chemical structure
Reference substance name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
CAS Number:
66604-47-5
Molecular formula:
C2 0H2 9O2 Ca0.5
IUPAC Name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 4
Chemical structure
Reference substance name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 5
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 6
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 7
Reference substance name:
non-specified constituents
IUPAC Name:
non-specified constituents
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:
Dihydrogen oxide
Constituent 9
Chemical structure
Reference substance name:
Abietic acid
EC Number:
208-178-3
EC Name:
Abietic acid
CAS Number:
514-10-3
Molecular formula:
C20H30O2
IUPAC Name:
abieta-7,13-dien-18-oic acid
Constituent 10
Chemical structure
Reference substance name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
EC Number:
217-102-8
EC Name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
CAS Number:
1740-19-8
Molecular formula:
C20H28O2
IUPAC Name:
abieta-8,11,13-trien-18-oic acid
Constituent 11
Chemical structure
Reference substance name:
[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
127-27-5
Molecular formula:
C20 H30 O2
IUPAC Name:
[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 12
Chemical structure
Reference substance name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
471-77-2
Molecular formula:
C20 H30 O2
IUPAC Name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 13
Chemical structure
Reference substance name:
1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
936009-59-5
Molecular formula:
C20 H30 O2
IUPAC Name:
1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 14
Chemical structure
Reference substance name:
1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
63230-30-8
Molecular formula:
C20 H30 O2
IUPAC Name:
1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 2
Chemical structure
Reference substance name:
calcium diabieta-8,11,13-trien-18-oate
CAS Number:
66604-45-3
Molecular formula:
C20 H27 O2 Ca0.5
IUPAC Name:
calcium diabieta-8,11,13-trien-18-oate
Constituent 3
Chemical structure
Reference substance name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
CAS Number:
66604-47-5
Molecular formula:
C2 0H2 9O2 Ca0.5
IUPAC Name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 4
Chemical structure
Reference substance name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 5
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 6
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 7
Reference substance name:
non-specified constituents
IUPAC Name:
non-specified constituents
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:
Dihydrogen oxide
Constituent 9
Chemical structure
Reference substance name:
Calcium carbonate
EC Number:
207-439-9
EC Name:
Calcium carbonate
CAS Number:
471-34-1
Molecular formula:
CH2O3.Ca
IUPAC Name:
calcium carbonate
Constituent 10
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 11
Chemical structure
Reference substance name:
Abietic acid
EC Number:
208-178-3
EC Name:
Abietic acid
CAS Number:
514-10-3
Molecular formula:
C20H30O2
IUPAC Name:
abieta-7,13-dien-18-oic acid
Constituent 12
Chemical structure
Reference substance name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
EC Number:
217-102-8
EC Name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
CAS Number:
1740-19-8
Molecular formula:
C20H28O2
IUPAC Name:
abieta-8,11,13-trien-18-oic acid
Constituent 13
Chemical structure
Reference substance name:
[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
127-27-5
Molecular formula:
C20 H30 O2
IUPAC Name:
[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 14
Chemical structure
Reference substance name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
471-77-2
Molecular formula:
C20 H30 O2
IUPAC Name:
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 15
Chemical structure
Reference substance name:
1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
936009-59-5
Molecular formula:
C20 H30 O2
IUPAC Name:
1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Constituent 16
Chemical structure
Reference substance name:
1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Number:
63230-30-8
Molecular formula:
C20 H30 O2
IUPAC Name:
1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
Calcium abietate
EC Number:
236-677-6
EC Name:
Calcium abietate
CAS Number:
13463-98-4
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
calcium diabieta-7,13-dien-18-oate
Constituent 2
Chemical structure
Reference substance name:
calcium diabieta-8,11,13-trien-18-oate
CAS Number:
66604-45-3
Molecular formula:
C20 H27 O2 Ca0.5
IUPAC Name:
calcium diabieta-8,11,13-trien-18-oate
Constituent 3
Chemical structure
Reference substance name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
CAS Number:
66604-47-5
Molecular formula:
C2 0H2 9O2 Ca0.5
IUPAC Name:
Calcium bis[(1R,4aR,4bS,7S,10aR)-1,4a,7-Trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 4
Chemical structure
Reference substance name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[ (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate]
Constituent 5
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 6
Chemical structure
Reference substance name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Molecular formula:
C20 H29 O2 Ca0.5
IUPAC Name:
Calcium bis[1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1-phenanthrenecarboxylate]
Constituent 7
Reference substance name:
non-specified constituents
Molecular formula:
not available
IUPAC Name:
non-specified constituents
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:
Dihydrogen oxide
Constituent 9
Chemical structure
Reference substance name:
Calcium carbonate
EC Number:
207-439-9
EC Name:
Calcium carbonate
CAS Number:
471-34-1
Molecular formula:
CH2O3.Ca
IUPAC Name:
calcium carbonate
Constituent 10