EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

vinyl butyrate
butanoic acid, ethenyl ester (9CI)

Supplier Sponsors

Name:ethenyl butanoate
CAS Number: 123-20-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-609-4
FDA UNII: Search
Nikkaji Web:J45.693D
Beilstein Number:1744933
MDL:MFCD00059410
XlogP3-AA:1.40 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):123-20-6 ; VINYL BUTYRATE
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point:-116.70 °C. @ 760.00 mm Hg
Boiling Point: 119.00 to 120.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:15.569000 mmHg @ 25.00 °C. (est)
Flash Point: 80.00 °F. TCC ( 26.40 °C. ) (est)
logP (o/w): 1.648 (est)
Soluble in:
 alcohol
 water, 3649 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
Vinyl Butyrate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Vinyl Butyrate ≥99.0% (GC)
sds
TCI AMERICA
For experimental / research use only.
Vinyl Butyrate >98.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 8530 mg/kg
Union Carbide Data Sheet. Vol. 3/24/1970

Dermal Toxicity:
skin-rabbit LD50 > 8 ml/kg
Union Carbide Data Sheet. Vol. 3/24/1970

Inhalation Toxicity:
inhalation-rat LCLo 4000 ppm/4H
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for vinyl butyrate usage levels up to:
 not for fragrance use.
 
Recommendation for vinyl butyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31247
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethenyl butanoate
Chemidplus:0000123206
EPA/NOAA CAMEO:hazardous materials
RTECS:ET7000000 for cas# 123-20-6
 
References:
 ethenyl butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):31247
Pubchem (sid):134974386
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 licania tomentosa fruit
Search Trop Picture
 
Synonyms:
 butanoic acid ethenyl ester
 butanoic acid, ethenyl ester (9CI)
 butyric acid vinyl ester
 butyric acid, vinyl ester
 ethenyl butanoate
 vinyl butanoate
 vinyl butyrate, inhibited [UN2838] [Flammable liquid]
 

Articles:

PubMed:Solvent-Free Synthesis of Flavour Esters through Immobilized Lipase Mediated Transesterification.
PubMed:Rapid synthesis of cellulose esters by transesterification of cellulose with vinyl esters under the catalysis of NaOH or KOH in DMSO.
PubMed:Enhanced productivity of electrospun polyvinyl alcohol nanofibrous mats using aqueous N,N-dimethylformamide solution and their application to lipase-immobilizing membrane-shaped catalysts.
PubMed:Sugar ester synthesis by thermostable lipase from Streptomyces thermocarboxydus ME168.
PubMed:Enantioselective Transesterification Catalysis by Nanosized Serine Protease Subtilisin Carlsberg Particles in Tetrahydrofuran.
PubMed:Non-lipolytic and lipolytic sequence-related carboxylesterases: a comparative study of the structure-function relationships of rabbit liver esterase 1 and bovine pancreatic bile-salt-activated lipase.
PubMed:Enantioselective transesterification of glycidol catalysed by a novel lipase expressed from Bacillus subtilis.
PubMed:Suppression of water as a nucleophile in Candida antarctica lipase B catalysis.
PubMed:Two-Step Enzymatic Modification of Solid-Supported Bergenin in Aqueous and Organic Media.
PubMed:Significant changes in the transesterification activity of free and mesoporous-immobilized Rhizopus oryzae lipase in ionic liquids.
PubMed:Efficiently enhancing regioselective acylation of 5-azacytidine catalyzed by Candida antarctica lipase B with co-solvent mixtures as the reaction media.
PubMed:Transesterification activity of a novel lipase from Acinetobacter venetianus RAG-1.
PubMed:Effect of PEG modification on subtilisin Carlsberg activity, enantioselectivity, and structural dynamics in 1,4-dioxane.
PubMed:Purification and biochemical characterization of a turkey preduodenal esterase.
PubMed:Dynamic kinetic resolution of secondary alcohols combining enzyme-catalyzed transesterification and zeolite-catalyzed racemization.
PubMed:On the relationship between the activity and structure of PEG-alpha-chymotrypsin conjugates in organic solvents.
PubMed:Use of ionic liquids as media for the biocatalytic preparation of flavonoid derivatives with antioxidant potency.
PubMed:How gastric lipase, an interfacial enzyme with a Ser-His-Asp catalytic triad, acts optimally at acidic pH.
PubMed:Substrate specificity and kinetic properties of enzymes belonging to the hormone-sensitive lipase family: comparison with non-lipolytic and lipolytic carboxylesterases.
PubMed:Enhanced enzyme activity and enantioselectivity of lipases in organic solvents by crown ethers and cyclodextrins.
PubMed:Understanding structure-stability relationships of Candida antartica lipase B in ionic liquids.
PubMed:Enhancement of enzyme activity and enantioselectivity by cyclopentyl methyl ether in the transesterification catalyzed by Pseudomonas cepacia lipase co-lyophilized with cyclodextrins.
PubMed:Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media.
PubMed:Stereochemistry of a diastereoisomeric amphiphile and the species of the lipase influence enzyme activity in the transesterification catalyzed by a lipase-co-lyophilizate with the amphiphile in organic media.
PubMed:Ester synthesis from trimethylammonium alcohols in dry organic media catalyzed by immobilized Candida antarctica lipase B.
PubMed:[Chemical discrimination of compounds possessing an amino group].
PubMed:Distinction between esterases and lipases: a kinetic study with vinyl esters and TAG.
PubMed:Nonaqueous biocatalytic synthesis of new cytotoxic doxorubicin derivatives: exploiting unexpected differences in the regioselectivity of salt-activated and solubilized subtilisin.
PubMed:Lipase-catalysed hydrolysis of short-chain substrates in solution and in emulsion: a kinetic study.
PubMed:Kinetic properties of Penicillium cyclopium lipases studied with vinyl esters.
PubMed:Optimization of Pseudomonas cepacia lipase preparations for catalysis in organic solvents.
PubMed:Activity, stability, and conformation of methoxypoly(ethylene glycol)-subtilisin at different concentrations of water in dioxane.
PubMed:The influence of the mode of enzyme preparation on enzymatic enantioselectivity in organic solvents and its temperature dependence.
PubMed:Probing a functional role of Glu87 and Trp89 in the lid of Humicola lanuginosa lipase through transesterification reactions in organic solvent.
PubMed:Synthesis, absolute configuration, and enantioselectivity of antiretroviral effect of (R)-(-)- and (S)-(+)-cytallene. Lipase-catalyzed enantioselective acylations of (+/-)-N4-acylcytallenes.
PubMed:Effect of support material and enzyme pretreatment on enantioselectivity of immobilized subtilisin in organic solvents.
PubMed:Computer-assisted modeling of subtilisin enantioselectivity in organic solvents.
PubMed:Inactivation and stabilization of stabilisins in neat organic solvents.
 
Notes:
None found
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