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Substance Name: Triethyl citrate [NF]
RN: 77-93-0
UNII: 8Z96QXD6UM
InChIKey: DOOTYTYQINUNNV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Pharmaceutic Aid (Plasticizer)

Molecular Formula

  • C12-H20-O7

Molecular Weight

  • 276.283
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester
  • 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester
  • Ethyl citrate
  • Triethyl citrate
  • Triethyl citrate [NF]

Synonyms

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester
  • 4-03-00-01276 (Beilstein Handbook Reference)
  • AI3-00659
  • BRN 1801199
  • Citric acid, triethyl ester
  • Citroflex 2
  • EC 201-070-7
  • EINECS 201-070-7
  • Ethyl citrate
  • Eudraflex
  • FEMA No. 3083
  • HSDB 729
  • Hydragen CAT
  • NSC 8907
  • Triaethylcitrat
  • Triaethylcitrat [German]
  • Triethyl 2-hydroxy-1,2,3-propanetricarboxylate
  • Triethyl citrate
  • Triethylester kyseliny citronove
  • Triethylester kyseliny citronove [Czech]
  • UNII-8Z96QXD6UM

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester
  • 2-Hydroxy-1,2,3-propanetricarboxylic acid, delta triethyl ester
  • Citric acid, triethyl ester
  • Triethyl citrate

Superlist Name

  • Triethyl citrate

Registry Numbers

CAS Registry Number

  • 77-93-0

FDA UNII

  • 8Z96QXD6UM

System Generated Number

  • 0000077930

Structure Descriptors

InChI

1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

InChIKey

DOOTYTYQINUNNV-UHFFFAOYSA-N

Smiles

C(CC(OCC)=O)(CC(OCC)=O)(C(OCC)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 3500mg/kg (3500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
Food and Cosmetics Toxicology. Vol. 17, Pg. 389, 1979.
guinea pig LD50 oral > 25mL/kg (25mL/kg)   German Offenlegungsschrift Patent Document. Vol. #2703360,
mouse LD50 intraperitoneal 1750mg/kg (1750mg/kg) VASCULAR: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 389, 1979.
rat LC50 inhalation 1300ppm/6H (1300ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION
"Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1892, 1963.
rat LD50 intraperitoneal 4gm/kg (4000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.
rat LD50 intraperitoneal 4gm/kg (4000mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.
rat LD50 oral 5900mg/kg (5900mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.
rat LD50 oral 5900mg/kg (5900mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.
rat LD50 subcutaneous 6600mg/kg (6600mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 294 deg C   EXP
log P (octanol-water) 0.330 (none)   EST
Water Solubility 6.50E+04 mg/L   EXP
Henry's Law Constant 3.84E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.33E-12 cm3/molecule-sec 25 EST

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