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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
 
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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

System Generated Number

  • 0000104870

Structure Descriptors

InChI

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

InChIKey

FXLOVSHXALFLKQ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
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.