2-Ethyl-1-hexanethiol
Properties
- Molecular formula
- C8H18S
- Molar mass
- 146.29 g/mol
- Exact mass
- 146.1129 Da
- Density
- 0.8467 g/mL (at 25 °C)
- Boiling point
- 80 °C (at 19 Torr)
- logP
- 3.13Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed48.1% of notifiers
- H312 Harmful in contact with skin48.1% of notifiers
- H319 Causes serious eye irritation51.9% of notifiers
- H332 Harmful if inhaled48.1% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects50.6% of notifiers
Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, P501
Identifiers
CAS number
7341-17-5SMILES
CCCCC(CC)CSInChIKey
UCJMHYXRQZYNNL-UHFFFAOYSA-NInChI
InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1-Hexanethiol, 2-ethyl-
- 2-Ethylhexylmercaptan
- 2-Ethylhexanethiol
Work with 2-Ethyl-1-hexanethiol
Similar compounds
Di(2-ethylhexyl)ether10143-60-960 % similar
2-Ethylhexylamine104-75-656 % similar
2-Ethylhexanol104-76-756 % similar
Bis(2-ethylhexyl)amine106-20-756 % similar
3-(Chloromethyl)heptane123-04-656 % similar
Tris(2-ethylhexyl)amine1860-26-056 % similar
2-Ethylhexyl bromide18908-66-256 % similar
1-Bromo-3-ethylheptane227953-67-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.