Basic information
- CAS
10094-40-3- Standard SMILES
CCCC=CCOC(C)=O- InChIKey
HRHOWZHRCRZVCU-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
2-hexenyl acetate has been reported in Capillipedium parviflorum with data available.
Names & identifiers
- Preferred name
- 2-Hexen-1-ol, 1-acetate
- IUPAC
- hex-2-enyl acetate
- English name
- hex-2-enyl acetate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Hex-2-enyl acetate2-Hexen-1-ol, acetate, (2E)-2-Hexen-1-ol, 1-acetate2-hexen-1-yl acetateDTXSID90862972EINECS 233-223-9RefChem:472868DTXCID9081166210094-40-3hex-2-en-1-yl acetateTrans-2-HEXENYLACETATEhex-2-enyl
Show more names
Hex-2-enylacetate(isomerunspecified)hex-2-2-Hexene-1-ol acetateAcetic acid 2-hexenyl esterSCHEMBL112505SCHEMBL22207476DB-046596NS00082535
Database identifiers
- CAS
10094-40-3、2497-18-9- PubChem CID
- 17243
- DTXSID
DTXSID90862972- EC Number
- 233-223-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Hex-2-enyl acetate (isomer unspecified)) -> IFRA transparency List
Density0.890-0.897
Solubility
Very slightly soluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point165-166 °C
Refractive Index1.424-1.430
Physical DescriptionColourless to pale yellow liquid; Powerful green, fruity aroma
Physicochemical properties
- Boiling point
- 171 · 171-173 °C
- Density
- 0.8976 g/cm3 · 0.8976 g/cm3(Temp: 18 °C)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. green fruity
- Odor Type
- green
- LogP
- 2.617 · 2.617 (est)
- FDA UNII
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 78.1% (89 of 114) of all reports.
Warning
H226 (21.9%): 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 114 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information2-Hexen-1-ol, acetate, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (21.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexen-1-ol, 1-acetate: ACTIVE
Suppliers8 total
吉林省创力生物科技有限公司19396231124 19396231124 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…