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Home > Encyclopedia > 2-Ethyl-1-hexanethiol

2-Ethyl-1-hexanethiol

2-Ethyl-1-hexanethiol structure

2-Ethyl-1-hexanethiol 

structure
  • CAS No:

    7341-17-5

  • Formula:

    C8H18S

  • Chemical Name:

    2-Ethyl-1-hexanethiol

  • Synonyms:

    1-Hexanethiol,2-ethyl-;2-Ethyl-1-hexanethiol;2-Ethylhexylmercaptan;2-Ethylhexanethiol;110502-32-4

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

colourless to pale yellow liquid


2-Ethyl-1-hexanethiol is an alkanethiol.

2-Ethyl-1-hexanethiol Basic Attributes

146.29

146.29

230-854-1

29309090

Characteristics

1

4.25

colourless to pale yellow liquid

0.8467 g/cm3 @ Temp: 25 °C

80 °C @ Press: 19 Torr

60 °C

1.449

soluble in oil and alcohol

Safety Information

3

UN33363/PG3

3

36-43-52/53

26-36/37

Xi

P261-P273-P305 + P351 + P338-P342 + P311

H226-H319-H334-H412

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P322, P330, P337+P313, P342+P311, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 72 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Ethyl-1-hexanethiol Use and Manufacturing

Uses

Spices for food.

1-Hexanethiol, 2-ethyl-: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:146.30
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:146.11292175
Monoisotopic Mass:146.11292175
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:52.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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