9,12-Octadecadienoic Acid

HCID 3931CAS 2197-37-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC=CCC=CCCCCCCCC(=O)O
InChIKey
OYHQOLUKZRVURQ-UHFFFAOYSA-N
Molecular formula
C18H32O2
Average molar mass
280.4 g/mol
Monoisotopic mass
280.24023026

Overview

octadeca-9,12-dienoic acid has been reported in Arisaema tortuosum, Humulus lupulus, and other organisms with data available.

Names & identifiers

Preferred name
9,12-Octadecadienoic Acid
IUPAC
octadeca-9,12-dienoic acid

Names & synonyms

9,12-Octadecadienoic acid2197-37-7DTXSID20750599,12-Octadecadienoic acid (VAN)RefChem:107555DTXCID8036578606-872-4octadeca-9,12-dienoic acidCis-octadecyl-2,9-diene85594-37-28024-22-4cis-9-cis-12-Octadecadienoic acid
Show more names
Linoleic acid- 99%9,12-octadecadienic acidCBiol_001994KBioGR_000094KBioSS_000094SCHEMBL156809orb1221980SCHEMBL6352539

Database identifiers

CAS
2197-37-7、8024-22-4、85594-37-2
PubChem CID
3931
DTXSID
DTXSID2075059
EC Number
287-896-9、606-872-4、617-024-8

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
20

Experimental & physicochemical properties

CosmeticsEmollient

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 82.5% (175 of 212) of all reports.

Warning

H226 (17%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 212 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 9,12-Octadecadienoic acid

Chemical: Grape seed oil

Grapeseed oil: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 items

IMAP assessments - 9,12-Octadecadienoic acid: Environment tier I assessment

IMAP assessments - Oils, grape: Environment tier I assessment

EPA Safer ChemicalChemical: Grape seed oil
Hazard Classes and CategoriesFlam. Liq. 3 (17%)

Chemistry & industry

Uses & manufacturing

Household Products · 2 items

Information on 8 consumer products that contain Vitus Vinifera (Grape) Seed Oil in the following categories is provided:

Information on 8 consumer products that contain Grape, ext. in the following categories is provided:

Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Cosmetics -> Emollient

Related reactions

5 records
New reaction record

Linked notes

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