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Substance Name: 2-Heptanol
RN: 543-49-7
UNII: E12FIG07JK
InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O

Molecular Weight

  • 116.202
 
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Names and Synonyms

Name of Substance

  • 2-Heptanol

Synonyms

  • 1-Methylhexanol
  • 2-Heptanol (natural)
  • 2-Heptyl alcohol
  • 2-Hydroxyheptane
  • 3-01-00-01685 (Beilstein Handbook Reference)
  • AI3-11263
  • Amyl methyl carbinol
  • BRN 1719088
  • EC 208-844-3
  • EINECS 208-844-3
  • FEMA No. 3288
  • Heptanol-2
  • Heptyl alcohol, sec-
  • Methyl amyl carbinol
  • NSC 2220
  • s-Heptyl alcohol
  • UNII-E12FIG07JK

Systematic Names

  • 2-Heptanol
  • Heptan-2-ol

Superlist Name

  • 2-Heptanol

Registry Numbers

CAS Registry Number

  • 543-49-7

FDA UNII

  • E12FIG07JK

Other Registry Number

  • 52390-72-4

System Generated Number

  • 0000543497

Structure Descriptors

InChI

1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

InChIKey

CETWDUZRCINIHU-UHFFFAOYSA-N

Smiles

C(CCCC)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1780uL/kg (1.78mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2580mg/kg (2580mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 158-160 deg C   EXP
log P (octanol-water) 2.31 (none)   EXP
Water Solubility 3270 mg/L 25 EXP
Vapor Pressure 1.23 mm Hg 25 EXP
Henry's Law Constant 5.56E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-11 cm3/molecule-sec 25 EST

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