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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
hexadecanoic acid; octadecanoic acid

Inventory

EC number:
266-928-5
EC name:
Fatty acids, C16-18
CAS number:
67701-03-5
Description:
This substance is identified by SDA Substance Name: C16-C18 alkyl carboxylic acid and SDA Reporting Number: 19-005-00.
CAS number:
67701-03-5
Synonyms
Names:
Fatty acids, C16-18
Identifier:
IUPAC name
Fatty acids
Identifier:
IUPAC name
Fatty acids, C16-18
Identifier:
IUPAC name
heptadecanoic acid
Identifier:
IUPAC name
hexadecanoic acid and octadecanoic acid
Identifier:
other: Molecular formula
C16: C16H32O2 C18: C18H36O2
Identifier:
other: InChl
C16: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) C18: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
Identifier:
other: SMILES notation
C16: O=C(O)CCCCCCCCCCCCCCC C18: O=C(O)CCCCCCCCCCCCCCCCC
Identifier:
other: Molecular formula
C16H32O2 C18H36O2
Identifier:
other: Molecular formula
C16H32O2 (C16) - C18H36O2 (C18)
Identifier:
other: Molecular formula
C16H32O2 and C18H36O2
Identifier:
other: Molecular formula
C16H3402
Identifier:
other: Molecular formula
C17H34O2
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)O Für C16 and CCCCCCCCCCCCCCCCCC(=O)O
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)O and CCCCCCCCCCCCCCCCCC(=O)O
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCC(=O)O
Identifier:
other: Molecular formula
CH3(CH2)15COOH
Identifier:
other: SMILES notation
OC(=O)CCCCCCCCCCCCCCCC
Identifier:
other: Molecular formula
not applicable
Identifier:
other: SMILES notation
not applicable
Identifier:
other: InChl
not applicable
Identifier:
other: Molecular formula
unspecified

Molecular and structural information

Molecular formula:
C16H32O2, C18H36O2
Molecular weight:
256.43 - 284.49
SMILES notation:
CCCCCCCCCCCCCCCC(=O)O
CCCCCCCCCCCCCCCCCC(=O)O
InChl:
InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
Structural formula:
Chemical structure

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