Vinyl hexanoate
Basic information
- CAS
3050-69-9- Standard SMILES
C=COC(=O)CCCCC- InChIKey
LZWYWAIOTBEZFN-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
N-Caproic acid vinyl ester is a fatty acid ester.
Names & identifiers
- Preferred name
- Vinyl hexanoate
- IUPAC
- ethenyl hexanoate
- English name
- Vinyl Hexanoate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Vinyl hexanoate3050-69-9Vinyl caproateVinyl hexoateHexanoic acid, ethenyl estervinyl n-hexanoateHexanoic acid, vinyl esterGW724Y19YVcaproic acid vinyl esterEINECS 221-265-0NSC-32629AI3-24255
Show more names
N-CAPROIC ACID VINYL ESTERHexanoic acid ethenyl esterHexanoic acid vinylVinyl Hexanoate HEXANOIC ACID VINYL ESTER
DTXSID60184572NSC 32629RefChem:901921DTXCID00107063221-265-0ethenyl hexanoatevinylhexanoateVINYL n-CAPROATE
Database identifiers
- CAS
3050-69-9- PubChem CID
- 76451
- DTXSID
DTXSID60184572- ChEBI
CHEBI:229271- UNII
- GW724Y19YV
- EC Number
- 221-265-0
- Nikkaji
- J7.671F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 166 °C · 166°C
- Density
- 0 · 0,887 g/cm3
- refractive index
- 1.421 · 1.4210-1.4230
- Flash point
- 51 °C · 51°C
- Water Solubility
- Practically insoluble in water
- form
- clear liquid
- color
- Colorless to Almost colorless
- LogP
- 2.667 · 2.667 (est)
- Indirect Additives used in Food Contact Substances
- VINYL HEXOATE
- CAS DataBase Reference
- 3050 · 3050-69-9(CAS DataBase Reference)
- FDA 21 CFR
- 175.105 · 175.105; 176.170; 176.180;178.3790
- FDA UNII
- 724 Y19YV · GW724Y19YV
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, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- rtecs
- MO8450000
- ridadr
- 3272
- hs_code
- 2915.90.5050
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
OccurrenceVinyl hexanoate is a natural product found in Akebia trifoliata.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
18 records
Compound notes
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