Benzeneethanethiol
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Benzeneethanethiol
structure -
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CAS No:
4410-99-5
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Formula:
C8H10S
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Chemical Name:
Benzeneethanethiol
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Synonyms:
Benzeneethanethiol;Ethanethiol,2-phenyl-;Phenethyl mercaptan;2-Phenyl-1-ethanethiol;2-Phenylethyl mercaptan;β-Phenylethyl mercaptan;Phenethylthiol;2-Phenethylmercaptan;2-Phenylethanethiol;NSC 2616;1-Phenyl-2-mercaptoethane;2-Phenylethylthiol;Phenylethyl mercaptan
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CAS No:
Benzeneethanethiol Basic Attributes
138.23
138.23
224-563-9
I4TH2T2INY
2616
DTXSID60196039
2930909090
Characteristics
1
2.6
Clear colorless Liquid
1.032 g/cm3 @ Temp: 18 °C
-30°C (estimate)
105 °C @ Press: 23 Torr
195 °F
1.554
insoluble in water, soluble in ethanol, triacetin and heptane
Safety Information
UN 3334
3
20/21/22
23-24/25-36/37
Xn
Stable. Incompatible with strong bases, strong oxidizing agents.
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (98.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 116 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzeneethanethiol Use and Manufacturing
Used as pesticide, medicine, dye intermediate
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:138.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:65
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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