Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: 4-Methylbenzaldehyde
RN: 104-87-0
UNII: GAX22QZ28Q
InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-O

Molecular Weight

  • 120.1502
 
* 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-Methylbenzaldehyde

Synonyms

  • 4-Methylbenzaldehyde
  • 4-Tolualdehyde
  • AI3-24380
  • Benzaldehyde, 4-methyl-
  • CCRIS 2942
  • EINECS 203-246-9
  • FEMA No. 3068
  • HSDB 5361
  • NSC 2224
  • p-Formyltoluene
  • p-Methylbenzaldehyde
  • p-Tolualdehyde
  • p-Toluylaldehyde
  • p-Tolylaldehyde
  • para-Methylbenzaldehyde
  • para-Tolualdehyde
  • para-Toluyl aldehyde
  • UNII-GAX22QZ28Q

Systematic Names

  • Benzaldehyde, 4-methyl-
  • p-Tolualdehyde

Superlist Name

  • p-Tolualdehyde

Registry Numbers

CAS Registry Number

  • 104-87-0

FDA UNII

  • GAX22QZ28Q

Other Registry Number

  • 2324860-99-1

System Generated Number

  • 0000104870

Structure Descriptors

InChI

InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

InChIKey

FXLOVSHXALFLKQ-UHFFFAOYSA-N

Smiles

Cc1ccc(C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533443,
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443,
rat LC inhalation > 2200mg/m3 (2200mg/m3)   National Technical Information Service. Vol. OTS0533443,
rat LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443,
rat LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0533443,
rat LD50 skin 2500mg/kg (2500mg/kg)   National Technical Information Service. Vol. OTS0538243,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.00E+00 deg C   EXP
Boiling Point 204.5 deg C   EXP
log P (octanol-water) 2.260 (none)   EST
Water Solubility 2270 mg/L 25 EXP
Vapor Pressure 0.25 mm Hg 25 EXP
Henry's Law Constant 1.74E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.87E-11 cm3/molecule-sec 25 EST

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