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4-Methylbenzyl mercaptan

4-Methylbenzyl mercaptan structure

CAS No:
4498-99-1
Formula:
C8H10S
Chemical Name:
4-Methylbenzyl mercaptan
Synonyms:
Benzenemethanethiol,4-methyl-;Methanethiol,p-tolyl-;4-Methylbenzenemethanethiol;p-Methylbenzyl mercaptan;p-Toluenemethanethiol;4-Methyltoluene-α-thiol;4-Methylbenzyl mercaptan;p-Tolylmethyl mercaptan;p-Tolylmethanethiol;(4-Tolyl)methanethiol;NSC 79870;(4-Methylphenyl)methanethiol;(p-Methylphenyl)methanethiol
Categories:
Chemical Reagents > Organic Reagents

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4-Methylbenzyl mercaptan Basic Attributes

Molecular Weight：

138.23

Exact Mass：

138.23

BRN：

2411317

EC Number：

224-796-6

NSC Number：

79870

DSSTox ID：

DTXSID30196349

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.42480

Density：

1.034 g/cm³ @ Temp: 23 °C

Melting Point：

76 °C

Boiling Point：

93 °C @ Press: 12 Torr

Flash Point：

116-118°C/35mm

Refractive Index：

1.5630

Water Solubility：

Sparingly soluble .

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

hazard class code：

R20/21/22

safety instructions：

23-24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:138.23
XLogP3:2.6
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:72.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-METHYLBENZYL MERCAPTAN

CAS No.: 4498-99-1

Content: 99.00%

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