| Identification | More | [Name]
Dihydro-2-methyl-3(2H)-thiophenone | [CAS]
13679-85-1 | [Synonyms]
2-METHYL-3-OXOTETRAHYDROTHIOPHENE
2-METHYL-3-TETRAHYDROTHIOPHENONE
2-METHYLTETRAHYDROTHIOPHEN-3-ONE
2-METHYL TETRAHYDROTHIOPHENE-3-ONE
FEMA 3512
2-Methyl-3-thiolanone
2-Methyldihydro-3(2H)-thiophenone
2-Methylthiolan-3-one
2-methytetrahydrothiophen-3-one
3(2H)-Thiophenone, dihydro-2-methyl-
4,5-dihydro-2-methyl-3(2H)-thiophenone
4,5-dihydro-2-methylthiophen-3(2H)-one
dihydro-2-methyl-3(2h)-thiophenon
Dihydro-2-methyl-3(2H)-thiophenone
Dihydro-3(2H)-thiophenone, 2-methyl
Thiolan-3-one, 2-methyl
Thiolan-3-thiol, 2-methyl
Thiophen-3(2H)-one, dihydro-2-methyl
dihydro-2-methylthiophen-3(2H)-one
methyldihydrothiophenone,2-methyldihydro-3(2H)-thiophenone,2-methyltetrahydrothiophen-3-one | [EINECS(EC#)]
237-183-3 | [Molecular Formula]
C5H8OS | [MDL Number]
MFCD00078280 | [Molecular Weight]
116.18 | [MOL File]
13679-85-1.mol |
| Chemical Properties | Back Directory | [Boiling point ]
82 °C28 mm Hg(lit.) | [density ]
1.119 g/mL at 25 °C(lit.)
| [FEMA ]
3512 | [refractive index ]
n20/D 1.508(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light orange to Yellow | [Odor]
at 0.10 % in dipropylene glycol. sulfur fruity berry | [biological source]
synthetic | [Odor Type]
sulfurous | [JECFA Number]
499 | [BRN ]
106443 | [Major Application]
flavors and fragrances | [InChI]
1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 | [InChIKey]
YMZZPMVKABUEBL-UHFFFAOYSA-N | [SMILES]
CC1SCCC1=O | [LogP]
0.20 | [CAS DataBase Reference]
13679-85-1(CAS DataBase Reference) | [NIST Chemistry Reference]
3(2H)-thiophenone, dihydro-2-methyl-(13679-85-1) | [EPA Substance Registry System]
13679-85-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29309090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow liquid | [Occurrence]
Reported found in beer, coffee, corn, roasted peanuts, cooked beef and pork, malt whiskey, grape wines, tea,
strawberry and bilberry wine, butter and malt | [Uses]
2-Methyltetrahydrothiophen-3-one is a dually substituted thiophene with butter and balsamic organoleptic qualities. | [Definition]
ChEBI: 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 values]
Aroma characteristics at 1.0%: pungent, alliaceous, coffee with a gasoline nuance | [Taste threshold values]
Taste characteristics at 5 ppm: horseradish and onion with a slight bite and a milky nuance |
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