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Substance Name: 5-Indanol
RN: 1470-94-6
UNII: 9Z94H6F15T
InChIKey: PEHSSTUGJUBZBI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 
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Names and Synonyms

Name of Substance

  • 5-Indanol

Synonyms

  • 4-06-00-03829 (Beilstein Handbook Reference)
  • 5-Hydroxyhydrindene
  • 5-Hydroxyindan
  • 5-Indanol
  • AI3-39160
  • BRN 1936314
  • EINECS 216-006-3
  • Indan-5-ol
  • NSC 9775
  • UNII-9Z94H6F15T

Systematic Names

  • 1H-Inden-5-ol, 2,3-dihydro-
  • Indan-5-ol

Registry Numbers

CAS Registry Number

  • 1470-94-6

FDA UNII

  • 9Z94H6F15T

System Generated Number

  • 0001470946

Structure Descriptors

InChI

1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2

InChIKey

PEHSSTUGJUBZBI-UHFFFAOYSA-N

Smiles

c12c(cc(O)cc2)CCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 450mg/kg (450mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3250mg/kg (3250mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58 deg C   EXP
Boiling Point 253 deg C   EXP
pKa Dissociation Constant 10.32 (none) 25 EXP
log P (octanol-water) 2.990 (none)   EST
Water Solubility 6300 mg/L 25 EXP
Vapor Pressure 0.014 mm Hg 25 EST
Henry's Law Constant 4.00E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-10 cm3/molecule-sec 25 EST

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