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Substance Name: 1-Octanol, 7-methyl-
RN: 2430-22-0
InChIKey: QDTDKYHPHANITQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H20-O

Molecular Weight

  • 144.256
 
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Names and Synonyms

Synonyms

  • 4-01-00-01806 (Beilstein Handbook Reference)
  • 7-Methyl-1-octanol
  • BRN 1733654
  • Isononyl alcohol

Systematic Name

  • 1-Octanol, 7-methyl-

Registry Numbers

CAS Registry Number

  • 2430-22-0

System Generated Number

  • 0002430220

Structure Descriptors

InChI

1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3

InChIKey

QDTDKYHPHANITQ-UHFFFAOYSA-N

Smiles

C(CCCCO)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC inhalation > 21700mg/m3/6 (21700mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
mouse LCLo inhalation 21700mg/m3/6H (21700mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rabbit LD50 skin > 3200mg/kg (3200mg/kg)   American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rat LCLo inhalation 21700mg/m3/6H (21700mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rat LD50 oral 2980mg/kg (2980mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.5 deg C   EXP
Boiling Point 206 deg C   EXP
log P (octanol-water) 3.220 (none)   EST
Water Solubility 461 mg/L 15 EXP
Vapor Pressure 0.044 mm Hg 25 EST
Henry's Law Constant 4.12E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-11 cm3/molecule-sec 25 EST

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