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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 | Hazard Symbols | F | |
Synonyms |
2-Butanethiol,3-methyl-; |
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: C5H12S
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
Hazard Codes: F
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
2-Butanethiol, 3-methyl- (CAS NO.2084-18-6) is also named as 3-Methyl-2-butanethiol ; FEMA No. 3304 ; 3-Methylbutane-2-thiol .