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Vinyl butyrate

HCID 31247
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
123-20-6
Standard SMILES
C=COC(=O)CCC
InChIKey
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
Molecular formula
C6H10O2
Average molar mass
114.14 g/mol
Monoisotopic mass
114.06807956

Overview

Vinyl butyrate, stabilized appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make plastics and paints.

Names & identifiers

Preferred name
Vinyl butyrate
IUPAC
ethenyl butanoate
English name
Vinyl butyrate
Molecular formula
C6H10O2
Molecular weight
114.14

Names & synonyms

Vinyl butyrate123-20-6Vinyl butanoateButanoic acid, ethenyl esterButyric acid, vinyl esterVinylester kyseliny maselnevinyl n-butyrateDW94WV9JCHNSC-5280Butanoic acid, etheyl esterDTXSID0074556RefChem:194311
Show more names
vinylbutanoateButyric acid vinylVINYL BUTYRATE 97%Butanoic acid vinylVinyl Butyrate VINYL BUTYRATE, STAB.Vinyl butyratesee 995032
DTXCID6033790204-609-4ethenyl butanoateVinyl butyrate, inhibitedn-Butyric acid vinyl esterVinyl Butyrate (stabilized with MEHQ)MFCD00059410Butyric Acid Vinyl Ester

Database identifiers

CAS
123-20-6
PubChem CID
31247
DTXSID
DTXSID0074556
UNII
DW94WV9JCH
EC Number
204-609-4
Nikkaji
J45.693D

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
86.5

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
Flash Point68 °F (NFPA, 2010)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 items

Vinyl butyrate, stabilized appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make plastics and paints.

Colorless liquid; [CAMEO]

Physicochemical properties

Melting point
-80 °C · -80°C
Boiling point
115 · 115-117°C
Density
0.899 g/mL · 0.899 g/mL at 20 °C
refractive index
20 · n20/D 1.410

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 · 4 items

Danger

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

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryMay irritate or burn skin and eyes; Inhalation may cause dizziness or suffocation; [CAMEO] Vinyl butyrate, stabilized (UN2838) has warning of explosive polymerization. [ERG 2016]
DOT ID and Guide2838 129P
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to manufacture plastics and paints; {CAMEO]

Painting (Solvents) [Category: Paint]

Applications

UsesVinyl Butyrate is a general chemical reagent used in the synthesis of isoxazolidines.

General DescriptionA colorless liquid. Less dense than water. Flash point 68°F. Vapors heavier than air. Used to make plastics and paints.

Upstream & downstream products

Downstream products

Isoamyl butyrateVINYL FORMATE(S)-(+)-2-Pentanol(S)-(+)-2-Butanol2-hydroxyethyl butyrate

Related reactions

14 records
New reaction record
HRID 217268 reaction equation
HRID 217268As reactantuspto-grants-2012_06
HRID 218864 reaction equation
HRID 218864As reactantuspto-grants-2012_06
HRID 499212 reaction equation
HRID 499212As reactantuspto-grants-2010_08
HRID 500654 reaction equation
HRID 500654As reactantuspto-grants-2010_08
HRID 657602 reaction equation
HRID 657602As reactantuspto-grants-2011_12
HRID 675726 reaction equation
HRID 675726As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 886705 reaction equation
HRID 886705As reactantuspto-grants-2012_08
HRID 886706 reaction equation
HRID 886706As reactantuspto-grants-2012_08
Page 1 of 2

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Flash point
20 °C · 20°C
storage temp.
2 · 2-8°C
Water Solubility
Slightly soluble in water
form
clear liquid
color
Colorless to Almost colorless
BRN
1744933 · 1744933
LogP
1.648 · 1.648 (est)
CAS DataBase Reference
123 · 123-20-6(CAS DataBase Reference)
FDA 21 CFR
175.105 · 175.105; 176.170; 176.180
Indirect Additives used in Food Contact Substances
VINYL BUTYRATE
FDA UNII
94 WV9JCH · DW94WV9JCH
EPA Substance Registry System
Butanoic acid, ethenyl ester (123-20-6)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02
Signal word
Danger
Hazard statements
225 · H225
Precautionary statements
501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Hazard Codes
F,Xn
Risk Statements
11 · 11-20-2017/11/20
Safety Statements
16 · 16-24/25
RIDADR
2838 · UN 2838 (VINYL BUTYRATE, STABILIZED)
WGK Germany
2 · 2
RTECS
7000000 · ET7000000
HazardClass
3 · 3
PackingGroup
II
HS Code
29156000 · 29156000
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)
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 item

VINYL BUTYRATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

DOT Hazard Classification · 4 items

Vinyl butyrate, stabilized

UN2838

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories · 2 items

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 2nd degree

Safety & protection

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Isolation and Evacuation · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

wgk
2
rtecs
ET7000000
ridadr
UN 2838 (VINYL BUTYRATE, STABILIZED)
hs_code
29156000
risk_code
11-20-2017/11/20
Signal word
Danger
Symbol(GHS)
GHS02
hazard_code
F,Xn
safety_code
16-24/25
hazard_class
3
packing_group
II
Hazard statements
H225
Limited Quantities
1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235