Product Name: 2-Pentanethiol (CAS NO.2084-19-7)
Molecular Formula: C5H12S
Molecular Weight: 104.21g/mol
Mol File: 2084-19-7.mol
EINECS: 218-224-4
Boiling point: 114.8 °C at 760 mmHg
Flash Point: 15 °C
Density: 0.83 g/cm3
Refractive index: n20/D 1.4410(lit.)
Surface Tension: 24.8 dyne/cm
Enthalpy of Vaporization: 33.86 kJ/mol
Vapour Pressure: 23.2 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 2-Pentanethiol (CAS NO.2084-19-7):
IUPAC Name: pentane-2-thiol
Canonical SMILES: CCCC(C)S
InChI: InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChIKey: QUSTYFNPKBDELJ-UHFFFAOYSA-N
Product Categories: thiol Flavor
Safety Information of 2-Pentanethiol (CAS NO.2084-19-7):
Hazard Codes: Xi
Risk Statements: 10-36/37/38
10: Flammable
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
HazardClass: 3.1
PackingGroup: II
2-Pentanethiol , its CAS NO. is 2084-19-7, the synonyms are 1-Methylbutanethiol ; 2-Mercaptopentane ; Amyl mercaptan, sec- ; EINECS 218-224-4 ; FEMA No. 3792 ; Pentane-2-thiol .
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