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ChemicalBook--->CAS DataBase List--->1003-04-9

1003-04-9

1003-04-9 Structure

1003-04-9 Structure
IdentificationMore
[Name]

Tetrahydrothiophen-3-one
[CAS]

1003-04-9
[Synonyms]

3-THIOPHANONE
4,5-DIHYDRO-3(2H)-THIOPHENONE
Dihydro-3-(2H)-thiophenone
dihydrothiophen-3(2h)-one
DIHYDRO-THIOPHEN-3-ONE
FEMA 3266
TETRAHYDRO-3-THIOPHENONE
TETRAHYDROTHIOPHEN-3-ONE
TETRAHYDROTHIOPHENE-3-ONE
TIMTEC-BB SBB007947
3(2H)-dihydrothiophenone
3(2H)-Thiophenone, dihydro-
3’-Tetrahydrothiophenone
3-Oxo-2,3,4,5-tetrahydrothiophene
3-Oxotetrahydrothiophene
3-Thiacyclopentanone
dihydro-3(2h)-thiophenon
Dihydro-3-Thiophenone
Thiolan-3-one
4 5-DIHYDRO-3(2H)THIOPHENONE 98+%
[EINECS(EC#)]

213-698-9
[Molecular Formula]

C4H6OS
[MDL Number]

MFCD00005412
[Molecular Weight]

102.15
[MOL File]

1003-04-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

175 °C(lit.)
[density ]

1.194 g/mL at 25 °C(lit.)
[vapor density ]

>1 (vs air)
[FEMA ]

3266
[refractive index ]

n20/D 1.528(lit.)
[Fp ]

171 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO
[form ]

Liquid
[color ]

Colorless to pale yellow
[Specific Gravity]

1.194
[Odor]

at 0.10 % in dipropylene glycol. garlic meaty green vegetables clams buttery
[Odor Type]

alliaceous
[JECFA Number]

498
[BRN ]

105201
[LogP]

-0.29
[CAS DataBase Reference]

1003-04-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Dihydro-3-(2H)-thiophenone(1003-04-9)
[EPA Substance Registry System]

1003-04-9(EPA Substance)
Safety DataBack 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:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[F ]

8-13
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29349990
Questions and Answers (Q&A)Back Directory
[Description]

Tetrahydro-thiophene-3-one is a heterocyclic nonaromatic ketone. It has a garlic meaty, green vegetable, buttery odor.  It is present in cooked beef, coffee, roast filbert, and roasted peanut.
Tetrahydro-thiophene-3-one is used as a food flavoring agent. It is also a valuable organic substance key that opens the synthetic access to numerous derivatives of thiophene.
[References]

[1] George A. Burdock (2010) Fenaroli's Handbook of Flavor Ingredients, Sixth Edition
[2] https://pubchem.ncbi.nlm.nih.gov
[3] Patent 0127121 A1: Process for the preparation of tetrahydro-thiophen-3-one
Hazard InformationBack Directory
[Chemical Properties]

4,5-Dihydro-3-(2H)thiophenone has a garlic meaty, green vegetable, buttery odor. It is a heterocyclic nonaromatic ketone.
[Chemical Properties]

Clear light yellow liquid
[Occurrence]

Reported found in cooked beef, coffee, roasted filberts and roasted peanuts.
[Uses]

Used for blending soft drinks, beverage, meat products, confectionery, and milk product flavors.
[Preparation]

From 4-methoxycarboxyl-3-oxothiophane treated with 10% sulfuric acid.
[Taste threshold values]

Taste characteristics at 15 ppm: onion, garlic, cooked meaty with vegetables nuances
[Synthesis Reference(s)]

Journal of the American Chemical Society, 68, p. 2229, 1946 DOI: 10.1021/ja01215a034
Spectrum DetailBack Directory
[Spectrum Detail]

Tetrahydrothiophen-3-one(1003-04-9)MS
Tetrahydrothiophen-3-one(1003-04-9)1HNMR
Tetrahydrothiophen-3-one(1003-04-9)13CNMR
Tetrahydrothiophen-3-one(1003-04-9)IR1
Tetrahydrothiophen-3-one(1003-04-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Tetrahydrothiophen-3-one, 97%(1003-04-9)
[Sigma Aldrich]

1003-04-9(sigmaaldrich)
[TCI AMERICA]

4,5-Dihydro-3(2H)-thiophenone,>98.0%(GC)(1003-04-9)
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