Hex-3-en-1-yl formate
Basic information
- CAS
2315-09-5- Standard SMILES
CCC=CCCOC=O- InChIKey
XJHQVZQZUGLZLS-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Hex-3-en-1-yl formate
- IUPAC
- hex-3-enyl formate
- English name
- hex-3-enyl formate
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
HEX-3-EN-1-YL FORMATEDTXSID60475732315-09-5RefChem:347348DTXCID4027573cis-3-HEXENYLFORMATESCHEMBL97284SCHEMBL97285(E)-3-hexen-1-yl formateXJHQVZQZUGLZLS-UHFFFAOYSA-NAKOS030228187NS00082956
Show more names
Einecs 219-017-13-HEXENYLFORMATEhex-3-enyl formate3-Hexen-1-ol, formateFormic acid 3-hexenyl ester
Database identifiers
- CAS
2315-09-5- PubChem CID
- 36502
- DTXSID
DTXSID6047573- EC Number
- 219-017-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 86.9
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 158.909 · 158.909±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.907 · 0.907±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FLAVIS Number
- 9.846 · 09.846 | 3-Hexenyl formate
- JECFA Number
- 1272 · 1272
- LogP
- 2.076 · 2.076 (est)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
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
Warning
H226 (100%): 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 1400 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Hexen-1-ol, formate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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