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Substance Name: p-Hydroxybenzaldehyde
RN: 123-08-0
UNII: O1738X3Y38
InChIKey: RGHHSNMVTDWUBI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-O2

Molecular Weight

  • 122.1224
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxybenzaldehyde
  • p-Hydroxybenzaldehyde

Synonyms

  • 4-08-00-00251 (Beilstein Handbook Reference)
  • 4-Formylphenol
  • 4-Hydroxybenzaldehyde
  • AI3-15366
  • BRN 0471352
  • CCRIS 8911
  • EINECS 204-599-1
  • NSC 2127
  • p-Formylphenol
  • p-Hydroxybenzaldehyde
  • p-Oxybenzaldehyde
  • Parahydroxybenzaldehyde
  • UNII-O1738X3Y38
  • USAF M-6

Systematic Names

  • 4-Hydroxybenzaldehyde
  • Benzaldehyde, 4-hydroxy-
  • Benzaldehyde, p-hydroxy-

Registry Numbers

CAS Registry Number

  • 123-08-0

FDA UNII

  • O1738X3Y38

Other Registry Number

  • 1187488-60-3

System Generated Number

  • 0000123080

Structure Descriptors

InChI

1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

InChIKey

RGHHSNMVTDWUBI-UHFFFAOYSA-N

Smiles

Oc1ccc(C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD50 oral 2250mg/kg (2250mg/kg)   National Technical Information Service. Vol. OTS0534446,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 117 deg C   EXP
Boiling Point 310 deg C   EXP
pKa Dissociation Constant 7.61 (none) 25 EXP
log P (octanol-water) 1.35 (none)   EXP
Water Solubility 8450 mg/L 25 EXP
Henry's Law Constant 5.11E-10 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.80E-11 cm3/molecule-sec 25 EST

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