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2-Pentanethiol

2-Pentanethiol structure

2-Pentanethiol 

structure
  • CAS No:

    2084-19-7

  • Formula:

    C5H12S

  • Chemical Name:

    2-Pentanethiol

  • Synonyms:

    2-Pentanethiol;1-Methylbutanethiol;sec-Amylmercaptan;2-Pentyl mercaptan;2-Mercaptopentane;110503-18-9

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

2-Pentanethiol has an unpleasant odor and is sulfuraceous and gassy.


colourless liquid


2-Pentanethiol is an alkanethiol.

2-Pentanethiol Basic Attributes

104.21

104.21

218-224-4

2930909090

Characteristics

1

2.10480

colourless liquid

0.83 g/cm3

-169 °C

112.9 °C

80 °F

n20/D 1.4410(lit.)

slightly soluble in water; soluble in alcohol

Keep container closed. Keep away from heat, sparks, and open flame.

23.2mmHg at 25°C

Safety Information

II

3.1

UN 1993 3/PG 3

3

10-36/37/38

26-36

Xi

Stable at normal temperatures and pressures.

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

H225

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 115 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Pentanethiol Use and Manufacturing

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:104.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:104.06597156
Monoisotopic Mass:104.06597156
Topological Polar Surface Area:1
Heavy Atom Count:6
Complexity:27.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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