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

methyl vinyl ketone
3-buten-2-one

Supplier Sponsors

CAS Number: 78-94-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-160-6
FDA UNII:AR7642I1MP
Nikkaji Web:J7H
Beilstein Number:0506021
MDL:MFCD00008777
CoE Number:11043
XlogP3-AA:0.50 (est)
Molecular Weight:70.09102000
Formula:C4 H6 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84200 @ 25.00 °C.
Melting Point: -8.00 to -6.00 °C. @ 760.00 mm Hg
Boiling Point: 81.00 to 83.00 °C. @ 760.00 mm Hg
Boiling Point: 32.00 to 34.00 °C. @ 60.00 mm Hg
Vapor Pressure:82.085999 mmHg @ 25.00 °C. (est)
Vapor Density:1.3 ( Air = 1 )
Flash Point: 20.00 °F. TCC ( -6.67 °C. )
logP (o/w): 0.142 (est)
Shelf Life: 6.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
 moisture Sensitive.
Soluble in:
 alcohol
 water, 6.063e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Kingchem Laboratories
Methyl Vinyl Ketone
Penta International
3-BUTANONE-2
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Buten-2-one 99%
contains 0.5% hydroquinone and 0.1% acetic acid as stabilizer
TCI AMERICA
For experimental / research use only.
Methyl Vinyl Ketone (stabilized with HQ + AcOH) >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T+ N - Very toxic, Dangerous for the environment.
R 11 - Highly flammable.
R 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
R 43 - May cause sensitisation by skin contact.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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-mouse LD50 23.30 mg/kg

oral-rat LD50 23.10 mg/kg

oral-guinea pig LD50 15 mg/kg

intraperitoneal-mouse LD50 76 mg/kg

intraperitoneal-guinea pig LDLo 15 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555304

oral-guinea pig LDLo 15 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555304

intraperitoneal-mouse LD50 76 mg/kg
Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975

oral-mouse LD50 23300 ug/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.

oral-rat LD50 23100 ug/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.

intraperitoneal-rat LDLo 15 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555304

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 7 mg/m3/4H
National Technical Information Service. Vol. OTS0555304

inhalation-mouse LC50 8 mg/m3/2H
National Technical Information Service. Vol. OTS0555304

inhalation-mouse LC50 8 mg/m3/2H
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 88, 1982.

inhalation-rat LC50 7 mg/m3/4H
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 88, 1982.

 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl vinyl ketone usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):78-94-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6570
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1251
WGK Germany:3
but-3-en-2-one
Chemidplus:0000078944
EPA/NOAA CAMEO:hazardous materials
RTECS:78-94-4
 
References:
 but-3-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:78-94-4
Pubchem (cid):6570
Pubchem (sid):134971089
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C20701
HMDB (The Human Metabolome Database):Search
FooDB:FDB007029
Export Tariff Code:2914.19.0000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
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Synonyms:
 acetone, methylene-
 acetyl ethylene
 but-3-en-2-one
3-buten-2-one
3-butene-2-one
 butenone
2-butenone
delta(sup 3)-2-butenone
gamma-oxo-alpha-butylene
 ketone, methyl vinyl
 methyl ethenyl ketone
 methylene acetone
 methylvinyl ketone
 methylvinylcetone
 methylvinylketone
 vinyl methyl ketone
 
 
Notes:
None found
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