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Substance Name: 2-Propyl-1-heptanol
RN: 10042-59-8
UNII: ROZ1V94YZK
InChIKey: YLQLIQIAXYRMDL-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C10-H22-O
  • H10-H22-O

Molecular Weight

  • 158.283
 
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Names and Synonyms

Name of Substance

  • 2-Propyl-1-heptanol

Synonyms

  • 2-Propylheptanol
  • 4-01-00-01827 (Beilstein Handbook Reference)
  • AI3-25311
  • BRN 1361442
  • EC 233-126-1
  • EINECS 233-126-1
  • UNII-ROZ1V94YZK

Systematic Names

  • 1-Heptanol, 2-propyl-
  • 2-Propylheptan-1-ol

Superlist Name

  • 1-Heptanol, 2-propyl-

Registry Numbers

CAS Registry Number

  • 10042-59-8

FDA UNII

  • ROZ1V94YZK

System Generated Number

  • 0010042598

Structure Descriptors

InChI

1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3

InChIKey

YLQLIQIAXYRMDL-UHFFFAOYSA-N

Smiles

C([C@@H](CCC)CO)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 10gm/kg (10000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 698, 1969.
rat LD50 oral 6730uL/kg (6.73mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.