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

alpha-methyl-gamma-butyrolactone
alpha-valerolactone

Supplier Sponsors

Name:3-methyloxolan-2-one
CAS Number: 1679-47-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-846-0
FDA UNII: 140H0G0P5W
Nikkaji Web:J141.781I
Beilstein Number:0080418
MDL:MFCD00005396
XlogP3-AA:0.80 (est)
Molecular Weight:100.11716000
Formula:C5 H8 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
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05800 to 1.06200 @ 20.00 °C.
Pounds per Gallon - (est).: 8.814 to 8.847
Refractive Index:1.43100 to 1.43500 @ 20.00 °C.
Flash Point: 163.00 °F. TCC ( 72.78 °C. )
Soluble in:
 water, 9.381e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
alpha-Methyl-gamma-butyrolactone 95%
Santa Cruz Biotechnology
For experimental / research use only.
alpha-Methyl-gamma-butyrolactone
Sigma-Aldrich: Aldrich
For experimental / research use only.
alpha-Methyl-gamma-butyrolactone 98%
sds
TCI AMERICA
For experimental / research use only.
alpha-Methyl-gamma-butyrolactone >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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for alpha-methyl-gamma-butyrolactone usage levels up to:
 not for fragrance use.
 
Recommendation for alpha-methyl-gamma-butyrolactone 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 :98323
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methyloxolan-2-one
Chemidplus:0001679476
 
References:
 3-methyloxolan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):98323
Pubchem (cas):1679-47-6
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB35143
FooDB:FDB013779
Export Tariff Code:2932.20.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 mango fruit
Search Trop Picture
 
Synonyms:
alpha-methylbutyrolactone
3-methyldihydrofuran-2(3H)-one
3-methyloxolan-2-one
alpha-valerolactone
 

Articles:

PubMed:Combined experimental and theoretical study of the reactivity of γ-Butyro- and related lactones, with the OH radical at room temperature.
PubMed:Chemical composition and aroma evaluation of essential oils from Evolvulus alsinoides L.
PubMed:Total synthesis and absolute configuration of curvularides A-E.
PubMed:Costunolide inhibits production of tumor necrosis factor-alpha and interleukin-6 by inducing heme oxygenase-1 in RAW264.7 macrophages.
PubMed:The alpha-methylene-gamma-butyrolactone moiety in dehydrocostus lactone is responsible for cytoprotective heme oxygenase-1 expression through activation of the nuclear factor E2-related factor 2 in HepG2 cells.
PubMed:Inhibition of type A GABA receptors by L-type calcium channel blockers.
PubMed:Enantioselectivity of alpha-benzyl-alpha-methyl-gamma-butyrolactone-mediated modulation of anticonvulsant activity and GABA(A) receptor function.
PubMed:Pentylenetetrazole-induced inhibition of recombinant gamma-aminobutyric acid type A (GABA(A)) receptors: mechanism and site of action.
PubMed:Sites of reaction of pilocarpine.
PubMed:Voltage-dependent calcium channels as targets for convulsant and anticonvulsant alkyl-substituted thiobutyrolactones.
PubMed:The inhibitory effects of nicotinic antagonists on currents elicited by GABA in rat hippocampal neurons.
PubMed:Multiple mechanisms of picrotoxin block of GABA-induced currents in rat hippocampal neurons.
PubMed:Bihaptens with 5- and 6-methyl-substituted alkylcatechols and methylene lactone functional groups: tools for hapten (allergen or tolerogen)-protein interaction studies.
PubMed:Direct observation of a fluorinated anticonvulsant in brain tissue using 19F-NMR techniques.
PubMed:Relative anticonvulsant effects of GABAmimetic and GABA modulatory agents.
PubMed:Gamma-butyrolactone antagonism of the picrotoxin receptor: comparison of a pure antagonist and a mixed antagonist/inverse agonist.
PubMed:Modulation of the picrotoxin receptor by fluorinated ethyl, methyl-butyrolactones.
PubMed:Alkyl-substituted thiolo-, thiono-, and dithio-gamma-butyrolactones: new classes of convulsant and anticonvulsant agents.
PubMed:Alpha-substituted gamma-butyrolactones: new class of anticonvulsant drugs.
 
Notes:
Present in Mangifera indica (mango)
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