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Substance Name: Octyl gallate
RN: 1034-01-1
UNII: 079IIA2811
InChIKey: NRPKURNSADTHLJ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Food Additives
  • Food Preservatives
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C15-H22-O5

Molecular Weight

  • 282.3338
 
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Names and Synonyms

Name of Substance

  • Octyl gallate

Synonyms

  • 4-10-00-02005 (Beilstein Handbook Reference)
  • Benzoic acid, 3,4,5-trihydroxy-, octyl ester
  • BRN 2132305
  • EINECS 213-853-0
  • GA 8 (VAN)
  • Gallic acid, octyl ester
  • n-Octyl ester of 3,4,5-trihydroxybenzoic acid
  • n-Octyl gallate
  • NSC 97419
  • Octyl 3,4,5-trihydroxybenzoate
  • Octyl gallate
  • Oktylester kyseliny gallove
  • Oktylester kyseliny gallove [Czech]
  • Progallin O
  • Stabilizer GA 8
  • UNII-079IIA2811

Systematic Names

  • Benzoic acid, 3,4,5-trihydroxy-, octyl ester
  • Gallic acid, octyl ester
  • Octyl 3,4,5-trihydroxybenzoate

Superlist Name

  • Octyl gallate

Registry Numbers

CAS Registry Number

  • 1034-01-1

FDA UNII

  • 079IIA2811

System Generated Number

  • 0001034011

Structure Descriptors

InChI

1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3

InChIKey

NRPKURNSADTHLJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pig LD50 oral > 6gm/kg (6000mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Voeding. Vol. 16, Pg. 683, 1955.
rat LD50 intraperitoneal 60mg/kg (60mg/kg)   FAO Nutrition Meetings Report Series. Vol. 38A, Pg. 22, 1965.
rat LD50 oral 1960mg/kg (1960mg/kg)   FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 183, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 101-104 deg C   EXP
log P (octanol-water) 3.66 (none)   EXP
Water Solubility 36 mg/L 20 EXP
Vapor Pressure 2.91E-09 mm Hg 25 EST
Henry's Law Constant 2.84E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.93E-11 cm3/molecule-sec 25 EST

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