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2084-19-7

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Basic Information
CAS No.: 2084-19-7
Name: 2-Pentanethiol
Article Data: 6
Molecular Structure:
Molecular Structure of 2084-19-7 (2-Pentanethiol)
Formula: C5H12 S
Molecular Weight: 104.216
Synonyms: 1-Methylbutanethiol;2-Pentyl mercaptan; sec-Amylmercaptan
EINECS: 218-224-4
Density: 0.83 g/cm3
Melting Point: -169ºC
Boiling Point: 114.8 °C at 760 mmHg
Flash Point: 15 °C
Solubility: slightly soluble in water; soluble in alcohol
Appearance: colourless liquid
Hazard Symbols:
Risk Codes: 10-36/37/38
Safety: 26-36
Transport Information: UN 1993
PSA: 38.80000
LogP: 2.10480
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    2084-19-7 C5H12S 2-Pentanethiol

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Chemistry

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 Profile

Safety Information of 2-Pentanethiol (CAS NO.2084-19-7):
Hazard Codes: XiIrritant
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

Specification

 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 .