Basic information
- CAS
37165-63-2- Standard SMILES
CCCCCCCCC(=O)OCCCCCC- InChIKey
GPHBCFMWKGZPRP-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
Hexyl nonanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Hexyl nonanoate
- IUPAC
- hexyl nonanoate
- English name
- HEXYL PELARGONATE
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
hexyl nonanoateHexyl nonan-1-oate6561-39-337165-63-2Nonanoic acid, hexyl esterR71E988O4UEINECS 229-488-5HEXYL NONANOATE [FHFI]FEMA NO. 4339DTXSID30215862Nonanoic acid, 2-hexyl-RefChem:788301
Show more names
2-Hexylnonanoic acid
DTXCID60138353229-488-5HEXYL PELARGONATEUNII-R71E988O4USCHEMBL2394804SCHEMBL7838913SCHEMBL7839433SCHEMBL11266899
Database identifiers
- CAS
37165-63-2、6561-39-3- PubChem CID
- 81045
- DTXSID
DTXSID30215862- ChEBI
CHEBI:172088- UNII
- R71E988O4U
- EC Number
- 229-488-5
- Nikkaji
- J115.094D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.863 (20 °C)
Solubility
Insoluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point
291.00 to 292.00 °C. @ 760.00 mm Hg
291-292 °C
Refractive Index1.431-1.436
Physical DescriptionLiquid; Fresh vegetable fruity aroma
Physicochemical properties
- Boiling point
- 355.5 · 355.5±10.0 °C(Predicted)
- Density
- 0.894 · 0.894±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationNonanoic acid, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Hexyl nonanoate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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