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3-Methyl-2-butanethiol

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Name

3-Methyl-2-butanethiol

EINECS 218-223-9
CAS No. 2084-18-6 Density 0.827 g/cm3
PSA 38.80000 LogP 1.96070
Solubility N/A Melting Point -109.95°C (estimate)
Formula C5H12S Boiling Point 103.8 °C at 760 mmHg
Molecular Weight 104.216 Flash Point 8.9 °C
Transport Information UN 3336 3/PG 2 Appearance UN 3336 3/PG 2
Safety 16-33-36 Risk Codes 11
Molecular Structure Molecular Structure of 2084-18-6 (3-Methyl-2-butanethiol) Hazard Symbols FlammableF
Synonyms

2-Butanethiol,3-methyl-;

 

3-Methyl-2-butanethiol Chemical Properties

Molecule structure of 2-Butanethiol, 3-methyl- (CAS NO.2084-18-6):

IUPAC Name: 3-Methylbutane-2-thiol 
Molecular Weight: 104.21378 g/mol
Molecular Formula: C5H12
Density: 0.827 g/cm3
Boiling Point: 103.8 °C at 760 mmHg 
Flash Point: 8.9 °C
Index of Refraction: 1.437
Molar Refractivity: 33.02 cm3
Molar Volume: 125.8 cm3
Polarizability: 13.09×10-24 cm3
Surface Tension: 23.6 dyne/cm  
Enthalpy of Vaporization: 32.87 kJ/mol
Vapour Pressure: 36.7 mmHg at 25 °C 
Sensitive: air sensitive
XLogP3-AA: 2.3
Rotatable Bond Count: 1
Exact Mass: 104.065971
MonoIsotopic Mass: 104.065971
Heavy Atom Count: 6
Complexity: 32.9
Canonical SMILES: CC(C)C(C)S
InChI: InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
InChIKey: BFLXFRNPNMTTAA-UHFFFAOYSA-N
EINECS: 218-223-9
Product Categories of 2-Butanethiol, 3-methyl- (CAS NO.2084-18-6): thiol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N

3-Methyl-2-butanethiol Safety Profile

Hazard Codes: FlammableF
Risk Statements: 11 
R11:Highly flammable.
Safety Statements: 16-33-36 
S16:Keep away from sources of ignition. 
S33:Take precautionary measures against static discharges. 
S36:Wear suitable protective clothing.
RIDADR: UN 3336 3/PG 2
WGK Germany: 3
HazardClass: 3
PackingGroup: II

3-Methyl-2-butanethiol Specification

 2-Butanethiol, 3-methyl- (CAS NO.2084-18-6) is also named as 3-Methyl-2-butanethiol ; FEMA No. 3304 ; 3-Methylbutane-2-thiol .

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