2,4,4-Trimethyl-2-pentanethiol

CAS Registry Number®

141-59-3
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CAS Name

2,4,4-Trimethyl-2-pentanethiol

Molecular Formula

C8H18S

Molecular Mass

146.29

Cite this Page

2,4,4-Trimethyl-2-pentanethiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=141-59-3 (retrieved 2024-04-28) (CAS RN: 141-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154-166 °C

  • Melting Point (2)

    -74 °C

  • Density (1)

    0.848 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QZLAEIZEPJAELS-UHFFFAOYSA-N

SMILES

C(C(C)(C)C)C(C)(C)S

Canonical SMILES

SC(C)(C)CC(C)(C)C

Other Names for this Substance

  • 2-Pentanethiol, 2,4,4-trimethyl-
  • 2,4,4-Trimethyl-2-pentanethiol
  • tert-Octyl mercaptan
  • tert-Octylthiol
  • tert-Octanethiol

Deleted or Replaced CAS Registry Numbers

126977-99-9

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