1-Octanethiol | CAS No. 111-88-6

1-Octanethiol

Basic Information

CAS Number

111-88-6

Molecular Formula

C8H18S

Molecular Weight

146.3 g/mol

AD

Basic Physical Properties

Melting Point

-49 ºC

Boiling Point

200°C

Water Solubility

Not miscible in water.

Solubility

0.004g/l

Refractive Index

n20/D 1.452(lit.)

CCCCCCCCS

InChI

InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey

KZCOBXFFBQJQHH-UHFFFAOYSA-N

LogP

3.276700000000003

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

43.8

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H317H317
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Stability

Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals.

Sensitiveness

Sensitive to moisture

Synonyms & References

English

  • DTXSID4026894
  • n-oct-1-yl mercaptan
  • 1-OCTANETHIOL
  • DTXCID506894
  • 42GO2PA46L
  • BP-20994
  • n-Octylmercaptan
  • CHEMBL3182056
  • Octyl mercaptan
  • InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H
  • 1-Mercaptooctane
  • FT-0608178
  • 1-Octyl mercaptan
  • UNII-42GO2PA46L
  • NSC-41903
  • n-Octylthiol
  • NSC 41903
  • NS00005647
  • EINECS 203-918-1
  • n-Octanethiolate
  • n-octyl thiol
  • Octanethiol-(1)
  • CAS-111-88-6
  • HSDB 5552
  • Octylmercaptan
  • NCGC00259348-01
  • Tox21_201799
  • O0025
  • NSC41903
  • 1-Octylthiol
  • Q11883826

MDL Number

MFCD00004912

Customs Code

29309070

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