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Substance Name: Benzaldehyde [NF]
RN: 100-52-7
UNII: TA269SD04T
InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Insect Attractant, Repellent and Chemosterilant
  • Mutation Data
  • Pharmaceutic Aid (Flavor)
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C7-H6-O

Molecular Weight

  • 106.1234
 

Names and Synonyms

Name of Substance

  • Artificial almond oil
  • Benzaldehyde
  • Benzaldehyde [NF]

Synonyms

  • AI3-09931
  • Almond artificial essential oil
  • Artificial almond oil
  • Artificial essential oil of almond
  • Benzaldehyde
  • Benzaldehyde (natural)
  • Benzaldehyde FFC
  • Benzene carbaldehyde
  • Benzene carboxaldehyde
  • Benzenecarbonal
  • Benzenecarboxaldehyde
  • Benzenemethylal
  • Benzoic aldehyde
  • Bitter almond oil, synthetic
  • Caswell No. 076
  • CCRIS 2376
  • EC 202-860-4
  • EINECS 202-860-4
  • EPA Pesticide Chemical Code 008601
  • FEMA No. 2127
  • HSDB 388
  • NCI-C56133
  • NSC 7917
  • Oil of bitter almond
  • Phenylmethanal
  • Synthetic oil of bitter almond
  • UNII-TA269SD04T

Systematic Name

  • Benzaldehyde

Superlist Names

  • Benzaldehyde
  • Benzaldehyde [UN1990] [Class 9]
  • UN1990

Registry Numbers

CAS Registry Number

  • 100-52-7

FDA UNII

  • TA269SD04T

System Generated Number

  • 0000100527

Structure Descriptors

InChI

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

InChIKey

HUMNYLRZRPPJDN-UHFFFAOYSA-N

Smiles

O=Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1gm/kg (1000mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

BEHAVIORAL: TREMOR		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mammal (species unspecified) LD50 oral 2020mg/kg (2020mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LC inhalation > 500mg/m3 (500mg/m3) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974.
mouse LD50 intraperitoneal 9mg/kg (9mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: TREMOR		 European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976.
mouse LD50 oral 28mg/kg (28mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR		 European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976.
rabbit LD50 subcutaneous 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 693, 1976.
rat LC inhalation > 500mg/m3 (500mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974.
rat LD50 oral 1300mg/kg (1300mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LDLo subcutaneous 5gm/kg (5000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 27, Pg. 163, 1922.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.60E+01 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 6570 mg/L 25 EXP
Vapor Pressure 0.127 mm Hg 25 EXP
Henry's Law Constant 2.67E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.29E-11 cm3/molecule-sec 25 EXP

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