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Merck
CN

W329800

3-Mercapto-2-butanone

≥95%, FG

Synonym(s):

3-sulfanylbutan-2-one

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About This Item

Linear Formula:
CH3CH(SH)COCH3
CAS Number:
40789-98-8
Molecular Weight:
104.17
FEMA Number:
3298
Council of Europe no.:
11497
UNSPSC Code:
12164502
PubChem Substance ID:
24901620
Flavis number:
12.047
EC Number:
255-082-2
NACRES:
NA.21
MDL number:
MFCD00085206
Organoleptic:
meaty; onion; roasted; sulfurous
Grade:
FG
Halal
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

3-Mercapto-2-butanone, ≥95%, FG

SMILES string

CC(S)C(C)=O

InChI

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

InChI key

XLMPYCGSRHSSSX-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012

assay

≥95%

bp

48-49 °C/15 mmHg (lit.)

density

1.035 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

meaty; onion; roasted; sulfurous

storage temp.

2-8°C

Quality Level

300
400

Related Categories

Biochem/physiol Actions

Taste at 0.3-1.0 ppm

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

117.0 °F - closed cup

flash_point_c

47.2 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ4199
SHBM0921
MKBW0235V
MKCF9377
MKCD6911

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Important sulfur-containing aroma volatiles in meat.
Mottram DS & Madruga MS
ACS Symp. Ser., 564, 180?187-180?187 (1994)
Origin of carbons in sulfur-containing aroma compounds from the Maillard reaction of xylose, cysteine and thiamine
Cerny C.
LWT--Food Science and Technology, 40(8), 1309-1315 (2007)
Aroma volatiles from meatlike Maillard systems.
Mottram DS & Whitfield FB.
ACS Symp. Ser., 543, 180?191-180?191 (1994)
Flavour formation in meat and meat products: a review.
Mottram DS
Food Chemistry, 62(4), 415-424 (1998)
Mosciano, G.
Perfumer & Flavorist, 26, 70-70 (2001)

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