9,12-Octadecadienoic Acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
2197-37-7- 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 propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
CosmeticsEmollient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
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
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
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
Compound notes
Loading…