2-Pentanethiol
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2-Pentanethiol
structure -
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CAS No:
2084-19-7
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Formula:
C5H12S
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Chemical Name:
2-Pentanethiol
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Synonyms:
2-Pentanethiol;1-Methylbutanethiol;sec-Amylmercaptan;2-Pentyl mercaptan;2-Mercaptopentane;110503-18-9
- Categories:
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CAS No:
Description
2-Pentanethiol has an unpleasant odor and is sulfuraceous and gassy.
colourless liquid
2-Pentanethiol is an alkanethiol.
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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