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Benzeneethanethiol

Benzeneethanethiol structure

Benzeneethanethiol 

structure
  • CAS No:

    4410-99-5

  • Formula:

    C8H10S

  • Chemical Name:

    Benzeneethanethiol

  • 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

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

colourless liquid


clear, colourless liquid

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

Uses

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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