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Substance Name: t-Butyl acetylene
RN: 917-92-0
InChIKey: PPWNCLVNXGCGAF-UHFFFAOYSA-N

Note

  • Inhibits cytochrome P450 2E1 T303A.

Molecular Formula

  • C6-H10

Molecular Weight

  • 82.145
 
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Names and Synonyms

Name of Substance

  • t-Butyl acetylene

Synonyms

  • 3,3,3-Trimethylpropyne
  • 3,3-Dimethyl-1-butyne
  • EC 213-035-3
  • EINECS 213-035-3
  • tert-Butylacetylene

Registry Numbers

CAS Registry Number

  • 917-92-0

System Generated Number

  • 0000917920

Structure Descriptors

InChI

1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

InChIKey

PPWNCLVNXGCGAF-UHFFFAOYSA-N

Smiles

C(C#C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.82E+01 deg C   EXP
Boiling Point 37.7 deg C   EXP
log P (octanol-water) 2.410 (none)   EST
Atmospheric OH Rate Constant 7.50E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.