Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)O- InChIKey
ZQPPMHVWECSIRJ-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588033
Overview
octadec-9-enoic acid has been reported in Pongamia pinnata var. pinnata, Arisaema tortuosum, and other organisms with data available.
Names & identifiers
- Preferred name
- 9-Octadecenoic Acid
- IUPAC
- octadec-9-enoic acid
Names & synonyms
9-octadecenoic acidOctadec-9-enoic acid2027-47-6DTXSID7048118CHEBI:36021RefChem:1075027DTXCID4028090217-977-6odorlessMangroven-Octadec-9-ensaureOleic acid-ul-13C18
Show more names
Oleic acid-9,10-d2NCIMech_000314SCHEMBL1139NCIOpen2_008144Oleic Acid_GurudeebanSatyavaniorb1222857SCHEMBL6344575287100-82-7
Database identifiers
- CAS
2027-47-6、287100-82-7- PubChem CID
- 965
- DTXSID
DTXSID7048118- EC Number
- 217-977-6、806-406-1
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Hazard information
Regulatory Information9-Octadecenoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Uses & manufacturing
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
General Manufacturing Information9-Octadecenoic acid: ACTIVE
Related reactions
27 records
Linked notes
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