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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
 
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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

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(cc1)C=O

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.