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Substance Name: Propyl gallate [NF]
RN: 121-79-9
UNII: 8D4SNN7V92
InChIKey: ZTHYODDOHIVTJV-UHFFFAOYSA-N

Note

  • Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.

Molecular Formula

  • C10-H12-O5

Molecular Weight

  • 212.1998
 

Classification Codes

  • Antioxidants
  • Drug / Therapeutic Agent
  • Mutation Data
  • Pharmaceutic Aid (Antioxidant)
  • Protective Agents
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • 3,4,5-Trihydroxybenzoic acid, propyl ester
  • Benzoic acid, 3,4,5-trihydroxy-, propyl ester
  • Propyl gallate
  • Propyl gallate [NF]

MeSH Heading

  • Propyl gallate

Synonyms

  • 3,4,5-Trihydroxybenzene-1-propylcarboxylate
  • 3,4,5-Trihydroxybenzoic acid n-propyl ester
  • 3,4,5-Trihydroxybenzoic acid, propyl ester
  • AI3-17136
  • Benzoic acid, 3,4,5-trihydroxy-, propyl ester
  • CCRIS 541
  • EINECS 204-498-2
  • FEMA No. 2947
  • Gallic acid, propyl ester
  • HSDB 591
  • n-Propyl 3,4,5-trihydroxybenzoate
  • n-Propyl ester of 3,4,5-trihydroxybenzoic acid
  • n-Propyl gallate
  • NCI-C505888
  • NIPA 49
  • Nipagallin P
  • NSC 2626
  • Progallin P
  • Propyl 3,4,5-trihydroxybenzoate
  • Propyl gallate
  • Propylester kyseliny gallove
  • Propylester kyseliny gallove [Czech]
  • Tenox PG
  • UNII-8D4SNN7V92

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, propyl ester
  • Gallic acid, propyl ester
  • Propyl 3,4,5-trihydroxybenzoate
  • Propyl gallate

Superlist Names

  • Gallic acid, propyl ester
  • n-Propyl ester of 3,4,5-trihydroxybenzoic acid
  • Propyl gallate

Registry Numbers

CAS Registry Number

  • 121-79-9

FDA UNII

  • 8D4SNN7V92

Other Registry Number

  • 56274-95-4

System Generated Number

  • 0000121799

Structure Descriptors

InChI

1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3

InChIKey

ZTHYODDOHIVTJV-UHFFFAOYSA-N

Smiles

c1(cc(c(c(c1)O)O)O)C(=O)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 oral 2480mg/kg (2480mg/kg)   National Technical Information Service. Vol. PB223-840,
mouse LD50 oral 1700mg/kg (1700mg/kg)   Journal of the American Oil Chemists' Society. Vol. 54, Pg. 239, 1977.
pig LD50 oral > 6gm/kg (6000mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Voeding. Vol. 16, Pg. 683, 1955.
rabbit LD50 oral 2750mg/kg (2750mg/kg)   National Technical Information Service. Vol. PB223-840,
rat LD50 intraperitoneal 380mg/kg (380mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Food Technology Vol. 2, Pg. 308, 1948.
rat LD50 oral 2100mg/kg (2100mg/kg)   National Technical Information Service. Vol. PB245-441,
rat LD50 unreported 2500mg/kg (2500mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 25(6), Pg. 47, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 130 deg C   EXP
log P (octanol-water) 1.8 (none)   EXP
Water Solubility 3500 mg/L 25 EXP
Henry's Law Constant 6.30E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.85E-11 cm3/molecule-sec 25 EST

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