Basic information
- CAS
2091-29-4- Standard SMILES
CCCCCCC=CCCCCCCCC(=O)O- InChIKey
SECPZKHBENQXJG-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
hexadec-9-enoic acid has been reported in Penicillium oxalicum, Zygosaccharomyces rouxii, and other organisms with data available.
Names & identifiers
- Preferred name
- 9-Hexadecenoic acid
- IUPAC
- hexadec-9-enoic acid
- English name
- 9-Hexadecenoic acid
- Molecular formula
- C16H30O2
- Molecular weight
- 254.41
Names & synonyms
9-HEXADECENOIC ACID2091-29-4DTXSID5041564RefChem:1074989DTXCID3021564606-666-4hexadec-9-enoic acid9-Hexadecenoic acid, (9Z)-hexadecenoicacid184708-66-5hexadeca-9-enoic acid9-trans-Hexadecenoic acid;trans-Palmitoleic acid
Show more names
C16:1N7PalmitoleatePalmitoleic acid, (E)-isomerC008757Caprylic Acid Impurity 70Palmitoleic acid, (Z)-isomerPalmitoleic acid, sodium salt, (Z)-isomerPalmitoleic acid, potassium salt, (Z)-isomer
SCHEMBL33311SECPZKHBENQXJG-UHFFFAOYSA-NPalmitoleic-2,2,3,3,4,4,5,5,6,6,7,7,8,8-D14 AcidAKOS028109448DB-220102NS00112847
Database identifiers
- CAS
2091-29-4- PubChem CID
- 4668
- DTXSID
DTXSID5041564- EC Number
- 606-666-4
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; Liquid; Other Solid
Physicochemical properties
- Melting point
- 0.5 °C · 0.5°C
- Boiling point
- 374.4 °C · 374.4°C (estimate)
- Density
- 0.8855 · 0.8855 (rough estimate)
- refractive index
- 1.455 · 1.4550 (estimate)
- pka
- 4.78 · 4.78±0.10(Predicted)
- EPA Substance Registry System
- 9 · 9-Hexadecenoic acid (2091-29-4)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H400
- Precautionary statements
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 91.4% (544 of 595) of all reports.
Not Classified
Aggregated GHS information provided per 595 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9-Hexadecenoic acid
9-Hexadecenoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Hexadecenoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
9-Hexadecenoic 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.
Other Safety InformationIMAP assessments - 9-Hexadecenoic acid: Human health tier I assessment
EPA Safer ChemicalChemical: Palmitoleic acid
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410-H400
- Precautionary statements
- P273-P391-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
UsesFactor capable of converting CaATPase into MgATPase. [ChemIDplus] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 8,500,000 - <25,000,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesLubricating agent
Household ProductsInformation on 2 consumer products that contain Palmitoleic acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
9-Hexadecenoic acid: ACTIVE
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
重庆卡兰医药有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
DefinitionChEBI: Palmitelaidic acid is a straight-chain, monounsaturated, 16-carbon fatty acid with a trans-double bond at position C-9; the trans-isomer of palmitoleic acid and predominant trans-16:1 isomer in cheeses from goat and ewe milk. Major dietary sources are partly hydrogenated vegetable oils. It is a monounsaturated fatty acid and a long-chain fatty acid.
Related reactions
2 records
Compound notes
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