Basic information Safety Supplier Related

(R)-1-Phenylethanethiol

Basic information Safety Supplier Related

(R)-1-Phenylethanethiol Basic information

Product Name:
(R)-1-Phenylethanethiol
Synonyms:
  • (S)-(-)-BETA-METHYLBENZENEMETHANETHIOL
  • (R)-(+)-METHYLBENZENEMETHANETHIOL
  • 1-PHENYLETHYLMERCAPTAN
  • 1-PHENYL ETHANETHIOL
  • 1-Phenylethylmercaptane
  • Benzenemethanethiol, .alpha.-methyl-
  • Nsc66561
  • 1-Phenyl ethanethiol 98%
CAS:
6263-65-6
MF:
C8H10S
MW:
138.23
Product Categories:
  • API intermediates
Mol File:
6263-65-6.mol
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(R)-1-Phenylethanethiol Chemical Properties

Melting point:
58-59 °C
Boiling point:
83-84 °C(Press: 14 Torr)
Density 
1.021
FEMA 
4061 | (+/-)-1-PHENYLETHYLMERCAPTAN
Flash point:
76°(169°F)
refractive index 
1.5580
pka
10.12±0.10(Predicted)
form 
liquid
Odor
at 0.10 % in propylene glycol. sulfurous floral tropical meaty
Odor Type
sulfurous
Water Solubility 
Insoluble in water. Solubility in ethanol.
Sensitive 
Air Sensitive
JECFA Number
1665
InChI
1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey
QZZBJCFNHPYNKO-UHFFFAOYSA-N
SMILES
CC(S)c1ccccc1
LogP
3.09
EPA Substance Registry System
Benzenemethanethiol, .alpha.-methyl- (6263-65-6)
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Safety Information

Hazard Codes 
Xn,N
Risk Statements 
20/21/22-36/37/38-48/22-50/53
Safety Statements 
26-36/37-60-61
RIDADR 
UN2810
WGK Germany 
WGK 3
TSCA 
TSCA listed
HazardClass 
6.1
PackingGroup 
III
HS Code 
2930909899
Storage Class
10 - Combustible liquids
Hazard Classifications
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
STOT RE 2 Oral
STOT SE 3
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(R)-1-Phenylethanethiol Usage And Synthesis

Chemical Properties

(+/–)-1-Phenylethylmercaptan has a characteristic meat-like, pungent odor.

Occurrence

The isomer 2-phenylethanethiole is reportedly present in mushroom and fermented shrimp and fish paste (trassi).

Uses

The compound is used as a source of the thiol functional group in organic synthesis. It is introduced by S-alkylation to give alkyl benzylthioethers.

Definition

ChEBI: 1-Phenylethane-1-thiol is a member of benzenes.

Synthesis

No information was found on the synthesis of 1-phenylethylmercaptan, but its isomer, 2-phenylethanethiol, was prepared from (2-bromoethyl)benzene.

(R)-1-PhenylethanethiolSupplier

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