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Substance Name: Triacetin [USP:INN:BAN]
RN: 102-76-1
UNII: XHX3C3X673
InChIKey: URAYPUMNDPQOKB-UHFFFAOYSA-N

Note

  • A triglyceride that is used as an antifungal agent.

Molecular Formula

  • C9-H14-O6

Molecular Weight

  • 218.204
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal
  • Antifungal Agents
  • Drug / Therapeutic Agent
  • Skin / Eye Irritant
  • Solvents
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetriol triacetate
  • Acetic, 1,2,3-propanetriyl ester
  • Triacetin
  • Triacetin [USP:INN:BAN]

MeSH Heading

  • Triacetin

Synonyms

  • 1,2,3-Propanetriol triacetate
  • 1,2,3-Propanetriyl triacetate
  • 4-02-00-00253 (Beilstein Handbook Reference)
  • Acetin, tri-
  • AI3-00661
  • BRN 1792353
  • CCRIS 9355
  • EC 203-051-9
  • EINECS 203-051-9
  • Enzactin
  • FEMA No. 2007
  • FEMA Number 2007
  • Fungacetin
  • Glycerin triacetate
  • Glycerol triacetate
  • Glyceryl triacetate
  • Glyped
  • HSDB 585
  • Kesscoflex TRA
  • Kodaflex triacetin
  • NSC 4796
  • Triacetin
  • Triacetina
  • Triacetina [INN-Spanish]
  • Triacetine
  • Triacetine [INN-French]
  • Triacetinum
  • Triacetinum [INN-Latin]
  • Triacetyl glycerine
  • Triacetylglycerol
  • UNII-XHX3C3X673
  • Vanay

Systematic Names

  • 1,2,3-Propanetriol, 1,2,3-triacetate
  • 1,2,3-Propanetriol, triacetate
  • Acetin, tri-
  • Triacetin

Superlist Names

  • 1,2,3-Propanetriol triacetate
  • Acetin, tri-
  • Glyceryl triacetate
  • Triacetin

Registry Numbers

CAS Registry Number

  • 102-76-1

FDA UNII

  • XHX3C3X673

Other Registry Number

  • 2102168-03-4

System Generated Number

  • 0000102761

Structure Descriptors

InChI

InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

InChIKey

URAYPUMNDPQOKB-UHFFFAOYSA-N

Smiles

CC(=O)OCC(COC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1500mg/kg (1500mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
frog LDLo oral 150mg/kg (150mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
guinea pig LDLo intramuscular 1740mg/kg (1740mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: STIFFNESS

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE		 Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963.
mouse LD50 intravenous 1600mg/kg (1600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.
mouse LD50 oral 1100mg/kg (1100mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: STIFFNESS		 Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963.
mouse LD50 subcutaneous 2300mg/kg (2300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.
rabbit LD50 intravenous 750mg/kg (750mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
rat LD50 intraperitoneal 2100mg/kg (2100mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
rat LD50 oral 3gm/kg (3000mg/kg)   AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
rat LD50 subcutaneous 2800mg/kg (2800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -78 deg C   EXP
Boiling Point 259 deg C   EXP
log P (octanol-water) 0.25 (none)   EXP
Water Solubility 5.80E+04 mg/L 25 EXP
Vapor Pressure 0.00248 mm Hg 25 EXP
Henry's Law Constant 1.23E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.81E-12 cm3/molecule-sec 25 EST

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