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2-METHYLBENZYL MERCAPTAN, 97

2-METHYLBENZYL MERCAPTAN, 97 structure

CAS No:
14092-00-3
Formula:
C8H10S
Chemical Name:
2-METHYLBENZYL MERCAPTAN, 97
Synonyms:
2-METHYLBENZYL MERCAPTAN, 97;2-methyl-à-toluenethiol;1-(Methylthio)-2-methylbenzene;1-Methyl-2-(methylthio)benzene;2-Methylphenyl(methyl) sulfide;Methyl 2-methylphenyl sulfide;Methyl o-tolyl sulfide;o-Cresyl methyl sulfide
Categories:
Chemical Reagents > Organic Reagents

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2-METHYLBENZYL MERCAPTAN, 97 Basic Attributes

Molecular Weight：

138.233

Exact Mass：

138.05000

BRN：

2040956

NSC Number：

90083

DSSTox ID：

DTXSID10293502

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

2.71690

Density：

1.026

Boiling Point：

56-58°C5mm

Flash Point：

56-58°C/5mm

Refractive Index：

1.571

Vapor Pressure：

0.167mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

hazard class code：

R20/21/22

safety instructions：

23-24/25

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, P330, P332+P313, P337+P313, P362, 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
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:25.3
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 14092-00-3

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