Vinyl hexanoate

HCID 76451CAS 3050-69-9

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Basic information

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 Å²
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
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 3272 · 3272
RTECS: 8450000 · MO8450000
HS Code: 2915.9 · 2915.90.5050
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

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