Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Heptanol, 6-methyl-, 2-acetate
RN: 67952-57-2
InChIKey: JNRDWRMJYGDQQE-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1,5-Dimethylhexyl acetate
  • 6-Methyl-2-heptanol
  • EINECS 267-911-5

Systematic Names

  • 1,5-Dimethylhexyl acetate
  • 2-Heptanol, 6-methyl-, 2-acetate
  • 2-Heptanol, 6-methyl-, acetate

Registry Numbers

CAS Registry Number

  • 67952-57-2

System Generated Number

  • 0067952572

Structure Descriptors

InChI

1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3

InChIKey

JNRDWRMJYGDQQE-UHFFFAOYSA-N

Smiles

C(C)(CCC[C@@H](C)OC(=O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 187 deg C   EXP
log P (octanol-water) 3.660 (none)   EST
Water Solubility 44.6 mg/L 25 EST
Vapor Pressure 0.699 mm Hg 25 EST
Henry's Law Constant 1.27E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

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