Vinyl propanoate

HCID 7750CAS 105-38-4

Substructure search Find similar structures

Basic information

Standard SMILES: C=COC(=O)CC
InChIKey: UIWXSTHGICQLQT-UHFFFAOYSA-N
Molecular formula: C5H8O2
Average molar mass: 100.12 g/mol
Monoisotopic mass: 100.0524295

Names & identifiers

Preferred name: Vinyl propanoate
IUPAC: ethenyl propanoate
English name: VINYL PROPIONATE
Molecular formula: C5H8O2
Molecular weight: 100.12

Names & synonyms

VINYL PROPIONATE105-38-4Vinyl propanoatePropanoic acid, ethenyl esterPropionic acid, vinyl esterVinylester kyseliny propionoveNSC 5275EINECS 203-293-5Vinylester kyseliny propionove [Czech]BRN 1741731AI3-24889NSC-5275

Show more names

vinylPropanoicacid,ethenylesterVinylpropionatPropionic acid vinylPROPIONIC ACID VINYL ESTERvinylpropanoateEthenylpropanoateVinyl Propionate VINYL PROPIONATE, STAB.

2437OJ3190DTXSID90515374-02-00-00711 (Beilstein Handbook Reference)RefChem:901929DTXCID0030089203-293-5InChI=1/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1Hethenyl propanoate

Database identifiers

CAS: 105-38-4、25035-84-1
PubChem CID: 7750
DTXSID: DTXSID9051537
UNII: 2437OJ3190
EC Number: 203-293-5
Nikkaji: J36.594G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 76.1

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physicochemical properties

Melting point: 80 °C · −80 °C(lit.)
Boiling point: 94 · 94-95 °C(lit.)
Density: 0.919 g/mL · 0.919 g/mL at 25 °C(lit.)
vapor pressure: 41.4 · 41.4-190.1hPa at 20-50℃
refractive index: 20 · n20/D 1.403(lit.)
Flash point: 43 °F · 43 °F
storage temp.: 2 · 2-8°C
Water Solubility: Practically insoluble in water
form: Liquid:volatile
color: Colorless to Almost colorless
BRN: 1741731 · 1741731
InChI: 1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InChIKey: UIWXSTHGICQLQT-UHFFFAOYSA-N
SMILES: CCC(=O)OC=C
LogP: 1.36 at · 1.36 at 23℃ and pH6.2-6.5
Surface tension: 67.8 mN/m · 67.8mN/m at 1.06g/L and 20℃
CAS DataBase Reference: 105 · 105-38-4(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: VINYL PROPIONATE
FDA 21 CFR: 175.105 · 175.105; 176.170; 176.180
FDA UNII: 2437 OJ3190 · 2437OJ3190
EPA Substance Registry System: Vinyl propionate (105-38-4)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS06,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H319-H331-H351-H412
Precautionary statements: 201 · P201-P210-P273-P304+P340+P311-P305+P351+P338-P308+P313
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn
Risk Statements: 11 · 11-21-36/38
Safety Statements: 9 · 9-16-26-29-33-36/37
RIDADR: 3272 · UN 3272 3/PG 2
WGK Germany: 1 · 1
RTECS: 8575000 · UF8575000
F: 8 · 8-10-23
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29155090 · 29155090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 InhalationAquatic · Acute Tox. 3 InhalationAquatic Chronic 3Carc. 2Eye Irrit. 2Flam. Liq. 2
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Hazard information

Regulatory Information · 2 items

Chemical: Propanoic acid, ethenyl ester

Status: Active Update: 07-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23502

Hazard Classes and Categories · 2 items

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Safety data

F: 8-10-23
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: UF8575000
ridadr: UN 3272 3/PG 2
hs_code: 29155090
risk_code: 11-21-36/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS08
hazard_code: F,Xn
safety_code: 9-16-26-29-33-36/37
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H319-H331-H351-H412
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 InhalationAquatic Chronic 3Carc. 2Eye Irrit. 2Flam. Liq. 2
Precautionary statements: P201-P210-P273-P304+P340+P311-P305+P351+P338-P308+P313