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Substance Name: Tri(2-butoxyethyl) phosphate
RN: 78-51-3
UNII: RYA6940G86
InChIKey: WTLBZVNBAKMVDP-UHFFFAOYSA-N

Note

  • Inhibitor of drug-protein binding; present in stoppers of blood sample 'vacutainers'.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H39-O7-P

Molecular Weight

  • 398.4731
 
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Names and Synonyms

Name of Substance

  • Tri(2-butoxyethyl) phosphate
  • Tris(2-butoxyethyl) phosphate

Synonyms

  • 2-Butoxyethanol, phosphate
  • 4-01-00-02422 (Beilstein Handbook Reference)
  • AI3-04596
  • BRN 1716010
  • CCRIS 5942
  • EC 201-122-9
  • EINECS 201-122-9
  • Ethanol, 2-butoxy-, phosphate (3:1)
  • HSDB 2564
  • KP 140
  • Kronitex KP-140
  • NSC 4839
  • Phosflex T-bep
  • Phosphoric acid, tributoxyethyl ester
  • Phosphoric acid, tris(2-butoxyethyl) ester
  • TBEP
  • Tri(2-butoxyethanol) phosphate
  • Tri(2-butoxyethanol)phosphate
  • Tri(2-butoxyethyl) phosphate
  • Tributoxyethyl phosphate
  • Tributyl cellosolve phosphate
  • Tris(2-butoxyethyl) phosphate
  • Tris(butoxyethyl) phosphate
  • Tris-(2-butoxyethyl)fosfat
  • Tris-(2-butoxyethyl)fosfat [Czech]
  • UNII-RYA6940G86

Systematic Names

  • 2-Butoxyethanol phosphate (3:1)
  • Ethanol, 2-butoxy-, 1,1',1''-phosphate
  • Ethanol, 2-butoxy-, phosphate (3:1)
  • Tributoxyethyl phosphate
  • Tris(2-butoxyethyl) phosphate

Superlist Names

  • Ethanol, 2-butoxy-, phosphate (3:1)
  • Tributoxyethyl phosphate

Registry Numbers

CAS Registry Number

  • 78-51-3

FDA UNII

  • RYA6940G86

Other Registry Numbers

  • 119166-98-2
  • 19040-50-7
  • 31227-66-4

System Generated Number

  • 0000078513

Structure Descriptors

InChI

1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3

InChIKey

WTLBZVNBAKMVDP-UHFFFAOYSA-N

Smiles

P(=O)(OCCOCCCC)(OCCOCCCC)OCCOCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 5gm/kg (5000mg/kg)   Toxicology and Industrial Health. Vol. 6, Pg. 415, 1990.
chicken LD50 oral > 5gm/kg (5000mg/kg)   Toxicology and Industrial Health. Vol. 6, Pg. 415, 1990.
guinea pig LC inhalation > 600mg/m3/6H (600mg/m3)   National Technical Information Service. Vol. OTS0537047,
guinea pig LD50 oral 3gm/kg (3000mg/kg)   "Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 336, 1968.
mouse LC inhalation > 600mg/m3/6H (600mg/m3)   National Technical Information Service. Vol. OTS0537047,
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00391,
rabbit LD50 skin > 16mL/kg (16mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LC inhalation > 600mg/m3/6H (600mg/m3)   National Technical Information Service. Vol. OTS0537047,
rat LD50 oral 3gm/kg (3000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 93, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.00E+01 deg C   EXP
log P (octanol-water) 3.75 (none)   EXP
Water Solubility 1100 mg/L 25 EXP
Vapor Pressure 2.50E-08 mm Hg 25 EST
Henry's Law Constant 1.20E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

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