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Dihydro-2-methyl-3(2H)-thiophenone

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Dihydro-2-methyl-3(2H)-thiophenone Basic information
Product Name:Dihydro-2-methyl-3(2H)-thiophenone
Synonyms:2-Methyldihydro-3(2H)-thiophenone;2-Methylthiolan-3-one;2-methytetrahydrothiophen-3-one;4,5-dihydro-2-methyl-3(2H)-thiophenone;4,5-dihydro-2-methylthiophen-3(2H)-one;4,5-dihydro-2-;2-Methyltetrahydrothiophen-3-one,97%;Methyltetrahydrothiophen-3-
CAS:13679-85-1
MF:C5H8OS
MW:116.18
EINECS:237-183-3
Product Categories:API intermediates;thiophene Flavor;M-N;Flavors and Fragrances;Alphabetical Listings;Sulfides flavors
Mol File:13679-85-1.mol
Dihydro-2-methyl-3(2H)-thiophenone Structure
Dihydro-2-methyl-3(2H)-thiophenone Chemical Properties
Boiling point 82 °C28 mm Hg(lit.)
density 1.119 g/mL at 25 °C(lit.)
refractive index n20/D 1.508(lit.)
FEMA 3512 | 2-METHYLTETRAHYDROTHIOPHEN-3-ONE
Fp 160 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
form clear liquid
color Colorless to Light orange to Yellow
Odorat 0.10 % in dipropylene glycol. sulfur fruity berry
Odor Typesulfurous
biological sourcesynthetic
JECFA Number499
BRN 106443
Major Applicationflavors and fragrances
InChI1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKeyYMZZPMVKABUEBL-UHFFFAOYSA-N
SMILESCC1SCCC1=O
LogP0.20
CAS DataBase Reference13679-85-1(CAS DataBase Reference)
NIST Chemistry Reference3(2H)-thiophenone, dihydro-2-methyl-(13679-85-1)
EPA Substance Registry System3(2H)-Thiophenone, dihydro-2-methyl- (13679-85-1)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
WGK Germany 3
TSCA TSCA listed
HS Code 29309090
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Dihydro-2-methyl-3(2H)-thiophenone Usage And Synthesis
Chemical PropertiesLight yellow liquid
OccurrenceReported found in beer, coffee, corn, roasted peanuts, cooked beef and pork, malt whiskey, grape wines, tea, strawberry and bilberry wine, butter and malt
Uses2-Methyltetrahydrothiophen-3-one is a dually substituted thiophene with butter and balsamic organoleptic qualities.
DefinitionChEBI: 2-methylthiolan-3-one is a member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has a role as a flavouring agent and a metabolite. It is a member of tetrahydrothiophenes and a cyclic ketone. It derives from a hydride of a tetrahydrothiophene.
Aroma threshold valuesAroma characteristics at 1.0%: pungent, alliaceous, coffee with a gasoline nuance
Taste threshold valuesTaste characteristics at 5 ppm: horseradish and onion with a slight bite and a milky nuance
Dihydro-2-methyl-3(2H)-thiophenone Preparation Products And Raw materials
Tag:Dihydro-2-methyl-3(2H)-thiophenone(13679-85-1) Related Product Information
2-Methyltetrahydrothiophene Methyl 3-oxotetrahydrothiophene-2-carboxylate 3-Methylthio-2-butanone Tetrahydrothiophene 2-methyl-3-oxothiophane-1-dioxide 3-Oxo-tetrahydro-thiophene-2-carboxylic acid ethyl ester 3-Mercapto-2-butanone Tetrahydrothiophen-3-one Dihydro-2-methyl-3(2H)-thiophenone