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Substance Name: Hydratropic aldehyde
RN: 93-53-8
UNII: 8JKX55PKZQ
InChIKey: IQVAERDLDAZARL-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 
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Names and Synonyms

Name of Substance

  • Hydratropic aldehyde

Synonyms

  • 2-Fenyl-1-propanal
  • 2-Fenyl-1-propanal [Czech]
  • 2-Phenyl propionaldehyde
  • 2-Phenyl-1-propanal
  • 2-Phenylpropanal
  • 2-Phenylpropionaldehyde
  • AI3-02934
  • Aldehyd hydratropovy
  • Aldehyd hydratropovy [Czech]
  • alpha-Formylethylbenzene
  • alpha-Methyl phenylacetaldehyde
  • alpha-Methyl-alpha-toluic aldehyde
  • alpha-Methylbenzeneacetaldehyde
  • alpha-Methylbenzenealdehydealpha-
  • alpha-Methylphenylacetaldehyde
  • alpha-Methyltolualdehyde
  • alpha-Phenyl propionaldehyde
  • alpha-Phenylpropanal
  • alpha-Phenylpropionaldehyde
  • alpha-Tolualdehyde, alpha-methyl-
  • Benzeneacetalaldehyde, alpha-methyl-
  • Cumene aldehyde
  • Cumene aldehyde (VAN)
  • EINECS 202-255-5
  • FEMA No. 2886
  • Hyacinthal
  • Hydratropa aldehyde
  • Hydratropaldehyde
  • Hydratropic aldehyde
  • Hydrotropic aldehyde
  • NSC 5231
  • Propionaldehyde, 2-phenyl-
  • UNII-8JKX55PKZQ

Systematic Names

  • 2-Phenylpropanal
  • Benzeneacetaldehyde, alpha-methyl-
  • Hydratropaldehyde

Superlist Name

  • 2-Phenylpropanal

Registry Numbers

CAS Registry Number

  • 93-53-8

FDA UNII

  • 8JKX55PKZQ

Other Registry Numbers

  • 1340-11-0
  • 34713-70-7

System Generated Number

  • 0000093538

Structure Descriptors

InChI

InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

IQVAERDLDAZARL-UHFFFAOYSA-N

Smiles

CC(C=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0572460,
rat LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: COMA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 203.5 deg C   EXP
log P (octanol-water) 1.960 (none)   EST
Atmospheric OH Rate Constant 2.74E-11 cm3/molecule-sec 25 EST

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