1-Hexen-3-ol, 3-acetate
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Basic information
- CAS
35926-04-6- Standard SMILES
C=CC(CCC)OC(C)=O- InChIKey
XCAHGFCKEWDQJK-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
1-Hexen-3-ol, 3-acetate has been reported in Agastache rugosa with data available.
Names & identifiers
- Preferred name
- 1-Hexen-3-ol, 3-acetate
- IUPAC
- hex-1-en-3-yl acetate
- English name
- 1-HEXEN-3-YL ACETATE
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
35926-04-61-Hexen-3-ol, acetate1-Hexen-3-ol, 3-acetateEINECS 252-794-5DTXSID60885638RefChem:433044DTXCID8010250031-Hexen-3-yl acetatehex-1-en-3-yl acetate1-Propylallyl acetatecis-hexen-3-ylacetatSCHEMBL2850328
Show more names
hex-1-en-3-ylacetate1-hexen-3-ol,acetate1-HEXEN-3-YL ACETATE USP/EP/BPAcetic acid 1-vinylbutyl esterAcetic acid 1-propylallyl esterAcetic acid 1-ethenylbutyl ester
AKOS006274302NS00057569
Database identifiers
- CAS
35926-04-6- PubChem CID
- 118262
- DTXSID
DTXSID60885638- EC Number
- 252-794-5
- Nikkaji
- J319.564C
Properties
Computed structural propertiesFilling in
- 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
- 118
Physicochemical properties
- Boiling point
- 49 · 49-50 °C
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. green fruity rum
- Odor Type
- green
- LogP
- 2.462 · 2.462 (est)
- EPA Substance Registry System
- 1 · 1-Hexen-3-ol, acetate (35926-04-6)
- 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.
Hazard information
Regulatory Information
Chemical: 1-Hexen-3-ol, acetate
1-Hexen-3-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexen-3-ol, 3-acetate: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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