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3-METHYLBENZYL MERCAPTAN

3-METHYLBENZYL MERCAPTAN structure

CAS No:
25697-56-7
Formula:
C8H10S
Chemical Name:
3-METHYLBENZYL MERCAPTAN
Synonyms:
(3-METHYLPHENYL)METHANETHIOL;3-METHYLBENZYL MERCAPTAN;M-METHYL-A-TOLUENETHIOL;3-Methyl-alpha-toluenethiol;3-methyl-à-toluenethiol;(3-Methylphenyl)methanethiol, 95+%;(3-Methylphenyl)methanethiol 95%;M-METHYLBENZYL MERCAPTAN
Categories:
Chemical Reagents > Organic Reagents

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3-METHYLBENZYL MERCAPTAN Basic Attributes

Molecular Weight：

138.23

Exact Mass：

138.05000

BRN：

2239962

DSSTox ID：

DTXSID20384218

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.42480

Density：

1.015g/cm3

Boiling Point：

102 °C

Flash Point：

102-104°C/15mm

Refractive Index：

1.563

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

hazard class code：

20/21/22

safety instructions：

23-36/37

Marks：

Hazard note：

Irritant

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:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes