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Substance Name: 3-Heptanol, 3-methyl- (8CI)(9CI)
RN: 5582-82-1
InChIKey: PQOSNJHBSNZITJ-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
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Names and Synonyms

Synonyms

  • 3-Methyl-3-heptanol
  • NSC 25542

Systematic Names

  • 3-Heptanol, 3-methyl-
  • 3-Heptanol, 3-methyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 5582-82-1

System Generated Number

  • 0005582821

Structure Descriptors

InChI

1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3

InChIKey

PQOSNJHBSNZITJ-UHFFFAOYSA-N

Smiles

C([C@@](CC)(C)O)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.30E+01 deg C   EXP
Boiling Point 163 deg C   EXP
log P (octanol-water) 2.690 (none)   EST
Water Solubility 2390 mg/L 25 EXP
Atmospheric OH Rate Constant 1.15E-11 cm3/molecule-sec 25 EST

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