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Substance Name: Trimethylolpropane phosphite
RN: 824-11-3
UNII: 1ND7080ZYD
InChIKey: QRUSNTDXJQBKBI-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-O3-P

Molecular Weight

  • 162.124
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 100/10000 lb
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Names and Synonyms

Name of Substance

  • Trimethylolpropane phosphite

Synonyms

  • 1,1,1-Trishydroxymethylpropane bicyclic phosphite
  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphite
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-
  • 2-(Hydroxymethyl)-2-ethyl-1,3-propanediol, cyclic phosphite (1:1)
  • 4-Aethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2)octan
  • 4-Aethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2)octan [German]
  • 4-Ethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2)octane
  • 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
  • BRN 0906923
  • EINECS 212-523-3
  • HSDB 6409
  • NSC 127561
  • Trimethylolpropane cyclic phosphite (1:1)
  • Trimethylolpropane phosphite
  • UNII-1ND7080ZYD

Systematic Names

  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphite (1:1)
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-
  • 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane

Superlist Name

  • Trimethylolpropane phosphite

Registry Numbers

CAS Registry Number

  • 824-11-3

FDA UNII

  • 1ND7080ZYD

Other Registry Number

  • 29267-12-7

System Generated Number

  • 0000824113

Structure Descriptors

InChI

1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3

InChIKey

QRUSNTDXJQBKBI-UHFFFAOYSA-N

Smiles

C12(COP(OC1)OC2)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 2500ug/kg (2.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
chicken LD50 oral 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
dog LD50 oral 5mg/kg (5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
guinea pig LD50 oral 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
hamster LD50 oral 8mg/kg (8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
mouse LD50 intraperitoneal 1100ug/kg (1.1mg/kg)   Chemical & Engineering News. Vol. 52(1), Pg. 56, 1974.
mouse LD50 oral 3320ug/kg (3.32mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
mouse LD50 skin 4mg/kg (4mg/kg)   Science. Vol. 182, Pg. 1135, 1973.
mouse LDLo intravenous 1mg/kg (1mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 207, 1978.
quail LD50 oral 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rabbit LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LCLo inhalation 10ppm/4H (10ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
British Journal of Industrial Medicine. Vol. 27, Pg. 1, 1970.
rat LD50 intraperitoneal 1020ug/kg (1.02mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LD50 oral 8390ug/kg (8.39mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archives of Toxicology. Vol. 35, Pg. 149, 1976.
rat LD50 skin 929mg/kg (929mg/kg)   Archives of Toxicology. Vol. 35, Pg. 149, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53.7 deg C   EXP
log P (octanol-water) 0.070 (none)   EST
Atmospheric OH Rate Constant 7.20E-11 cm3/molecule-sec 25 EST

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