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Substance Name: 3,3-Dimethylbutan-1-ol
RN: 624-95-3
UNII: 543OYD666T
InChIKey: DUXCSEISVMREAX-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
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Names and Synonyms

Name of Substance

  • 3,3-Dimethylbutan-1-ol

Synonyms

  • 3,3-Dimethyl-1-butanol
  • EINECS 210-872-6
  • NSC 54158
  • UNII-543OYD666T

Systematic Names

  • 1-Butanol, 3,3-dimethyl-
  • 3,3-Dimethylbutan-1-ol

Registry Numbers

CAS Registry Number

  • 624-95-3

FDA UNII

  • 543OYD666T

System Generated Number

  • 0000624953

Structure Descriptors

InChI

1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

InChIKey

DUXCSEISVMREAX-UHFFFAOYSA-N

Smiles

C(C(C)(C)C)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.00E+01 deg C   EXP
Boiling Point 143 deg C   EXP
log P (octanol-water) 1.710 (none)   EST
Water Solubility 7560 mg/L 25 EXP
Henry's Law Constant 1.76E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.08E-12 cm3/molecule-sec 25 EST

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