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1-Phenylethanethiol

1-Phenylethanethiol structure

CAS No:
6263-65-6
Formula:
C8H10S
Chemical Name:
1-Phenylethanethiol
Synonyms:
Benzenemethanethiol,α-methyl-;α-Toluenethiol,α-methyl-;Ethanethiol,1-phenyl-;α-Methylbenzenemethanethiol;1-Phenylethanethiol;1-Phenylethylthiol;α-Methylbenzyl mercaptan;α-Methyl-α-toluenethiol;NSC 66561;α-Methylbenzyl thiol;75081-57-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

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

Yellow oily liquid; Meat-like, pungent odour

1-Phenylethanethiol Basic Attributes

Molecular Weight：

138.23000

Exact Mass：

138.23

EC Number：

613-066-6

NSC Number：

66561

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

2.67740

Appearance：

Yellow oily liquid; Meat-like, pungent odour

Density：

1.039 g/cm³ @ Temp: 18 °C

Melting Point：

58-59 °C

Boiling Point：

83-84 °C @ Press: 14 Torr

Refractive Index：

1.579-1.585

Water Solubility：

Insoluble in water. Solubility in ethanol.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

safety instructions：

26-36/37-60-61

Marks：

Xn,N

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (93.79%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1417 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-phenylethanethiol

1-Phenylethanethiol Use and Manufacturing

Manufacturing Info：

Benzenemethanethiol, .alpha.-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:138.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:74.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Phenylethanethiol

Shaanxi Cuikang Pharmaceutical Technolog Contact Supplier

CN
4 YRS

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Manufactory Supplier of Cosmetics raw materials,Pesticide intermediate,Photoelectric material,pharmaceutical intermediates,Raw materials for food and health products,Polymer materials,Fine Chemicals,Synthetic customization

(S)-(-)-BETA-METHYLBENZENEMETHANETHIOL

CAS No.: 6263-65-6

Grade: Industrial Grade

Content: 98%

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