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
[biological source]

synthetic
[Odor Type]

alliaceous
[JECFA Number]

498
[BRN ]

105201
[Major Application]

flavors and fragrances
[InChI]

1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
[InChIKey]

DSXFPRKPFJRPIB-UHFFFAOYSA-N
[SMILES]

O=C1CCSC1
[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
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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)
1003-04-9 suppliers list
Company Name: Ninxia Xindachang Technology Limited Company  Gold
Telephone: 13832371507
Website: www.chemicalbook.com/supplier/24457679/
Company Name: Shanghai Chang-Gen Chemical Technology Co., Ltd.  Gold
Telephone: 021-69106814 13917161715
Website: http://www.shcgchem.com
Company Name: Tianjin Zhongxin Chemtech Co., Ltd.  
Telephone: 022-66880623
Website: http://www.tjzxchem.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: jiliang chemicals  
Telephone: 21-62165282
Website: http://www.jiliangchem.com
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Company Name: Shijiazhuang Lida Chemical Co., Ltd.  
Telephone: +86 (311) 8573-7996
Website: www.lid-ff.cn
Tags:1003-04-9 Related Product Information
97-99-4 50675-19-9 126-33-0 110-01-0 54903-50-3 110-02-1 1003-09-4 529-34-0 29943-42-8 29683-23-6 3334-05-2 91-21-4 1072-72-6 17396-35-9 21926-00-1 19418-11-2 100277-27-8 6309-59-7