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2-Ethylbenzenethiol

2-Ethylbenzenethiol structure

CAS No:
4500-58-7
Formula:
C8H10S
Chemical Name:
2-Ethylbenzenethiol
Synonyms:
Benzenethiol,2-ethyl-;Benzenethiol,o-ethyl-;2-Ethylbenzenethiol;o-Ethylbenzenethiol;2-Ethylbenzothiol;2-Ethylthiophenol
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

clear light yellow liquid 2-Ethylthiophenol has a pungent, roasted odor

colourless liquid with disagreeable odour

2-Ethylbenzenethiol Basic Attributes

Molecular Weight：

138.23

Exact Mass：

138.23

BRN：

2553288

EC Number：

224-811-6

UNII：

62GBU45I5P

DSSTox ID：

DTXSID2063501

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.51

Appearance：

colourless liquid with disagreeable odour

Density：

1.0349 g/cm³ @ Temp: 20 °C

Melting Point：

-30°C (estimate)

Boiling Point：

207-209 °C @ Press: 730 Torr

Flash Point：

177 °F

Refractive Index：

1.566

Water Solubility：

56.24 mg/L @ 25 °C (est)

Storage Conditions：

Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (97.25%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 1421 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Ethylbenzenethiol Use and Manufacturing

Uses

Spices for food.

Manufacturing Info：

Benzenethiol, 2-ethyl-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:138.23
XLogP3:3
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

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CAS No.: 4500-58-7

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Guide of 2-Ethylbenzenethiol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Ethylbenzenethiol

SDS

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