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3001-66-9

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3001-66-9 Structure

3001-66-9 Structure
IdentificationBack Directory
[Name]

2-Octanethiol
[CAS]

3001-66-9
[Synonyms]

2-Octanethiol
octane-2-thiol
[EINECS(EC#)]

221-086-8
[Molecular Formula]

C8H18S
[MOL File]

3001-66-9.mol
[Molecular Weight]

146.29
Chemical PropertiesBack Directory
[Melting point ]

-79°C
[Boiling point ]

195.97°C (estimate)
[density ]

0.8327
[refractive index ]

1.4481
[pka]

10.97±0.25(Predicted)
[Henry's Law Constant]

9.9×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
[InChI]

InChI=1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
[InChIKey]

BZXFEMZFRLXGCY-UHFFFAOYSA-N
[SMILES]

C(CCCC)CC(S)C
[NIST Chemistry Reference]

2-Octanethiol(3001-66-9)
[EPA Substance Registry System]

2-Octanethiol (3001-66-9)
Safety DataBack Directory
[TSCA ]

TSCA listed
[HS Code ]

2930909099
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