2-Heptanethiol
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2-Heptanethiol
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CAS No:
628-00-2
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Formula:
C7H16S
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Chemical Name:
2-Heptanethiol
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Synonyms:
2-Heptanethiol;(±)-2-Heptanethiol;2-Heptyl mercaptan;110503-08-7
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CAS No:
Description
Colorless liquid; pungent, sulfurous odor.
Colourless liquid; Pungent, sulfureous odour
2-Heptanethiol is an alkanethiol.
Characteristics
1
3.3
Colourless liquid; Pungent, sulfureous odour
0.8311
-141°C
98-99 °C @ Press: 103 Torr
1.442-1.445 (25°)
Slightly soluble in water
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (99.93%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1378 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Heptanethiol Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:132.27
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:132.09727168
Monoisotopic Mass:132.09727168
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:43.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes