ChemicalBook--->CAS DataBase List--->40789-98-8

40789-98-8

40789-98-8 Structure

40789-98-8 Structure
IdentificationMore
[Name]

3-Mercapto-2-butanone
[CAS]

40789-98-8
[Synonyms]

2-MERCAPTO-3-BUTANONE
3-MERCAPTO-2-BUTANONE
3-MERCAPTOBUTAN-2-ONE
3-MERCAPTOBUTANONE
FEMA 3298
3-mercapto-2-butanon
mercapto-3butanone-2
3-MERCAPTO-2-BUTANONE 80+%
3-MERCAPTO-2-BUTANONE, 95+% FEMA NO.3298
mercaptobutanone,3-mercapto-2-butanone
2-Butanone, 3-mercapto-
3-MERCAPTO-2-BUTANONE FEMA NO.3298 99%
3-MERCAPTO-2-BUTANONE (10% IN TRIACETIN)
3-MERCAPTO-2-BUTANONE PURE
3-Mercapto-2-butanone solution
[EINECS(EC#)]

255-082-2
[Molecular Formula]

C4H8OS
[MDL Number]

MFCD00085206
[Molecular Weight]

104.17
[MOL File]

40789-98-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

48-49 °C/15 mmHg (lit.)
[density ]

1.035 g/mL at 25 °C(lit.)
[FEMA ]

3298
[refractive index ]

n20/D 1.4352
[Fp ]

117 °F
[storage temp. ]

Refrigerator
[form ]

clear liquid
[pka]

8.38±0.10(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

1.015
[Odor]

at 0.10 % in propylene glycol. sulfurous onion roasted gassy meaty
[biological source]

synthetic
[Odor Type]

sulfurous
[Sensitive ]

Light Sensitive
[JECFA Number]

558
[Major Application]

flavors and fragrances
[InChI]

1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
[InChIKey]

XLMPYCGSRHSSSX-UHFFFAOYSA-N
[SMILES]

CC(S)C(C)=O
[LogP]

0.67
[CAS DataBase Reference]

40789-98-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanone, 3-mercapto-(40789-98-8)
[EPA Substance Registry System]

40789-98-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
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 .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[RTECS ]

EL9050000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydrosulfide-->Bis(2-methyl-3-furyl)disulfide-->2-Methyl-3-furanthiol-->3-Chloro-2-butanone-->2,3-Butanedione
[Preparation Products]

1,4-Dithiane-2,5-diol, 3,3,6,6-tetramethyl--->2-Methyltetrahydrofuran-3-one-->Furfural
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

3-Sulfanylbutan-2-one can be used to treating inflammation-??related diseases.
[Definition]

ChEBI: 3-Mercapto-2-butanone is a ketone.
[Preparation]

From 2,4,5-trimethyl-2-ethyl-3-thiazoline with butyl and hydrolysis; from oxo-compound with sulfur or polysulfides and ammonia at room temperature.
[General Description]

3-Mercapto-2-butanone is a sulfur-containing flavor compound mainly found in meat and meat products. It is formed by the Maillard reaction between sugars and cysteine or thiamin, which are known precursors for meat-like flavorings.
[Biochem/physiol Actions]

Taste at 0.3-1.0 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

3-Mercapto-2-butanone(40789-98-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Mercapto-2-butanone, 98%(40789-98-8)
[Sigma Aldrich]

40789-98-8(sigmaaldrich)
[TCI AMERICA]

3-Mercapto-2-butanone,>96.0%(GC)(40789-98-8)
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