Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Propylanisole
RN: 104-45-0
UNII: 932XJ1O77X
InChIKey: KBHWKXNXTURZCD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Propylanisole

Synonyms

  • 1-Methoxy-4-propylbenzene
  • 4-06-00-03181 (Beilstein Handbook Reference)
  • 4-n-Propylanisole
  • 4-Propylanisole
  • 4-Propylmethoxybenzene
  • AI3-03434
  • Anisole, p-propyl-
  • Benzene, 1-methoxy-4-propyl-
  • BRN 2042121
  • Dihydroanethole
  • EINECS 203-203-4
  • FEMA No. 2930
  • Methyl p-propylphenyl ether
  • NSC 37996
  • p-n-Propyl anisole
  • p-n-Propylanisole
  • p-Propyl anisole
  • p-Propylanisole
  • p-Propylmethoxybenzene
  • UNII-932XJ1O77X

Systematic Names

  • Anisole, p-propyl-
  • Benzene, 1-methoxy-4-propyl-
  • p-Propylanisole

Superlist Names

  • 1-Methoxy-4-propylbenzene
  • 4-Propylanisole

Registry Numbers

CAS Registry Number

  • 104-45-0

FDA UNII

  • 932XJ1O77X

System Generated Number

  • 0000104450

Structure Descriptors

InChI

1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3

InChIKey

KBHWKXNXTURZCD-UHFFFAOYSA-N

Smiles

c1(ccc(OC)cc1)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7300mg/kg (7300mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 789, 1975.
rat LD50 oral 4400mg/kg (4400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 211.5 deg C   EXP
log P (octanol-water) 3.600 (none)   EST
Atmospheric OH Rate Constant 2.95E-11 cm3/molecule-sec 25 EST

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