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2,5-Dimethylbenzenethiol

2,5-Dimethylbenzenethiol structure

CAS No:
4001-61-0
Formula:
C8H10S
Chemical Name:
2,5-Dimethylbenzenethiol
Synonyms:
Benzenethiol,2,5-dimethyl-;2,5-Xylenethiol;2,5-Dimethylbenzenethiol;2,5-Dimethylthiophenol;2,5-Dimethylbenzene-1-thiol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear light yellow liquid

2,5-Dimethylbenzenethiol Basic Attributes

Molecular Weight：

138.230

Exact Mass：

138.23

EC Number：

223-649-3

UNII：

2NV04MU9ER

DSSTox ID：

DTXSID3063259

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.44

Appearance：

clear light yellow liquid

Density：

1.0±0.1 g/cm3

Melting Point：

-30°C (estimate)

Boiling Point：

211-212 °C

Flash Point：

83.3±0.0 °C

Refractive Index：

1.569

Vapor Pressure：

0.366mmHg at 25°C

Safety Information

Packing level：

III

Transport codes：

UN 3334

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dimethylbenzenethiol Use and Manufacturing

Manufacturing Info：

Benzenethiol, 2,5-dimethyl-: INACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:138.23
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:90.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2,5-Dimethylbenzenethiol

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

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High quality pruity 99% the product of2,5-DIMETHYLTHIOPHENOLCAS4001-61-0gh quality

CAS No.: 4001-61-0

Grade: Industrial Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

2,5-Dimethylthiophenol

CAS No.: 4001-61-0

Content: 99.00%

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