Skip Navigation
ChemIDplus Lite•Browse•Advanced

Substance Name: Cuminaldehyde
RN: 122-03-2
UNII: O0893NC35F
InChIKey: WTWBUQJHJGUZCY-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H12-O

Molecular Weight

  • 148.2038
 
* 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

  • Cuminaldehyde

Synonyms

  • 4-(1-Methylethyl)benzaldehyde
  • 4-07-00-00723 (Beilstein Handbook Reference)
  • 4-Isopropylbenzaldehyde
  • 4-Isopropylbenzenecarboxylate
  • AI3-01853
  • Benzaldehyde, 4-(1-methylethyl)-
  • Benzaldehyde, p-isopropyl-
  • BRN 0636547
  • Cumaldehyde
  • Cumic aldehyde
  • Cuminal
  • Cuminaldehyde
  • Cuminic aldehyde
  • Cuminyl aldehyde
  • EC 204-516-9
  • EINECS 204-516-9
  • FEMA No. 2341
  • NSC 4886
  • p-Cumic aldehyde
  • p-Isopropylbenzaldehyde
  • p-Isopropylbenzenecarboxaldehyde
  • UNII-O0893NC35F

Systematic Names

  • 4-Isopropylbenzaldehyde
  • Benzaldehyde, 4-(1-methylethyl)-
  • Benzaldehyde, p-isopropyl-

Superlist Name

  • Cuminaldehyde

Registry Numbers

CAS Registry Number

  • 122-03-2

FDA UNII

  • O0893NC35F

System Generated Number

  • 0000122032

Structure Descriptors

InChI

InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

InChIKey

WTWBUQJHJGUZCY-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rabbit LD50 skin 2800mg/kg (2800mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 395, 1974.
rat LD50 oral 1390mg/kg (1390mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 235.5 deg C   EXP
log P (octanol-water) 3.170 (none)   EST
Atmospheric OH Rate Constant 2.07E-11 cm3/molecule-sec 25 EST

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