3-Mercapto-2-butanone supplier

Name
3-Mercapto-2-butanone
EINECS 255-082-2
CAS No. 40789-98-8
Article Data11
CAS DataBase
Density 0.981 g/cm³
Solubility
Melting Point
Formula C₄H₈OS
Boiling Point 140 °C at 760 mmHg
Molecular Weight 104.173
Flash Point 38.5 °C
Transport Information UN 1993 3/PG 2
Appearance colourless or pale yellow liquid, becomes cloudy after short storage
Safety 26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Mercapto-3-butanone;3-Mercaptobutan-2-one;2-Butanone, 3-mercapto-;
PSA 55.87000
LogP 0.89370

3-Mercapto-2-butanone Chemical Properties

IUPAC Name: 3-Sulfanylbutan-2-one
Canonical SMILES: CC(C(=O)C)S
InChI: InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
InChIKey: XLMPYCGSRHSSSX-UHFFFAOYSA-N
Empirical Formula: C₄H₈OS
Molecular Weight: 104.1707
EINECS: 255-082-2
Storage temp.: Refrigerator
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.449
Molar Refractivity: 28.46 cm³
Molar Volume: 106.1 cm³
Surface Tension: 28.7 dyne/cm
Density: 0.981 g/cm³
Flash Point: 38.5 °C
Enthalpy of Vaporization: 37.73 kJ/mol
Boiling Point: 140 °C at 760 mmHg
Vapour Pressure: 6.25 mmHg at 25 °C
Product Categories: Pharmaceutical Raw Materials; thiol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Sulfides flavors
Classification Code of 3-Mercapto-2-butanone (CAS NO.40789-98-8): Drug / Therapeutic Agent

3-Mercapto-2-butanone Uses

3-Mercapto-2-butanone (CAS NO.40789-98-8) is commonly used as food flavor.

3-Mercapto-2-butanone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 461, 1986.

3-Mercapto-2-butanone Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
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
HazardClass: 3
PackingGroup: III
RTECS of 3-Mercapto-2-butanone (CAS NO.40789-98-8): EL9050000

3-Mercapto-2-butanone Specification

3-Mercapto-2-butanone (CAS NO.40789-98-8), its Synonyms are 2-Butanone, 3-mercapto- ; 2-Mercapto-3-butanone ; Mercapto-3 butanone-2 ; 3-Mercaptobutan-2-one .

Product Name

3-Mercapto-2-butanone

3-Mercapto-2-butanone Chemical Properties

3-Mercapto-2-butanone Uses

3-Mercapto-2-butanone Toxicity Data With Reference

3-Mercapto-2-butanone Safety Profile

3-Mercapto-2-butanone Specification

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