9-Octadecenoic Acid
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Basic information
- CAS
2027-47-6- 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
- English name
- 9-octadecenoic acid
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
9-octadecenoic acidOctadec-9-enoic acid2027-47-6DTXSID7048118CHEBI:36021RefChem:1075027DTXCID4028090217-977-6odorlessMangroven-Octadec-9-ensaureOleic acid-ul-13C18
Show more names
9-Octadecensure
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 propertiesFilling in
- 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
Physicochemical properties
- Melting point
- 52.5 °C · 52.5 °C
- Boiling point
- 160 · 160-165 °C(Press: 0.0002 Torr)
- Density
- 0.926 g/cm3 · 0.926 g/cm3
- pka
- 4.78 · 4.78±0.10(Predicted)
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid (2027-47-6)
- TSCA
- TSCA listed
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 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).
Safety data
- tsca
- TSCA listed
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
Additional notes
DefinitionChEBI: An octadecenoic acid with a double bond at C-9.
Related reactions
27 records
Compound notes
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