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Substance Name: Methyl anthranilate
RN: 134-20-3
UNII: 981I0C1E5W
InChIKey: VAMXMNNIEUEQDV-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.1641
 
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Names and Synonyms

Name of Substance

  • 2-Aminobenzoic acid, methyl ester
  • Benzoic acid, 2-amino-, methyl ester
  • Methyl 2-aminobenzoate
  • Methyl anthranilate

Synonyms

  • 2-(Methoxycarbonyl)aniline
  • 2-Aminobenzoic acid methyl ester
  • 2-Carbomethoxyaniline
  • 4-14-00-01008 (Beilstein Handbook Reference)
  • AI3-01022
  • Amino methyl benzoate, o-
  • Anthranilic acid methyl ester
  • Benzoic acid, 2-amino-, methyl ester
  • BRN 0606965
  • CCRIS 1349
  • EINECS 205-132-4
  • EPA Pesticide Chemical Code 128725
  • FEMA No. 2682
  • HSDB 1008
  • Methyl 2-aminobenzoate
  • Methyl anthranilate
  • Methyl anthranilate (natural)
  • Methyl o-aminobenzoate
  • Methylanthranilate
  • Methylester kyseliny anthranilove
  • Methylester kyseliny anthranilove [Czech]
  • Neroli oil, artifical
  • Neroli oil, artificial
  • Nevoli oil
  • NSC 3109
  • o-Aminobenzoic acid methyl ester
  • o-Carbomethoxyaniline
  • UNII-981I0C1E5W

Systematic Names

  • Anthranilic acid, methyl ester
  • Benzoic acid, 2-amino-, methyl ester
  • Methyl anthranilate

Superlist Names

  • Anthranilic acid, methyl ester
  • Methyl anthranilate

Registry Numbers

CAS Registry Number

  • 134-20-3

FDA UNII

  • 981I0C1E5W

System Generated Number

  • 0000134203

Structure Descriptors

InChI

InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3

InChIKey

VAMXMNNIEUEQDV-UHFFFAOYSA-N

Smiles

COC(=O)c1ccccc1N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2780mg/kg (2780mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 oral 3900mg/kg (3900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 935, 1974.
rat LD50 oral 2910mg/kg (2910mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 24.5 deg C   EXP
Boiling Point 256 deg C   EXP
pKa Dissociation Constant 2.23 (none) 25 EXP
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 2850 mg/L 25 EXP
Henry's Law Constant 1.23E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.48E-11 cm3/molecule-sec 25 EST

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