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Substance Name: Trioctyl phosphate
RN: 78-42-2
UNII: BQC0BKB72S
InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C24-H51-O4-P

Molecular Weight

  • 434.6369
 
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Names and Synonyms

Name of Substance

  • Trioctyl phosphate
  • Tris(2-ethylhexyl)phosphate

Synonyms

  • 1-Hexanol, 2-ethyl-, phosphate
  • 2-Ethyl-1-hexanol phosphate
  • 2-Ethylhexanol, phosphate triester
  • 4-01-00-01786 (Beilstein Handbook Reference)
  • AI3-07852
  • BRN 1715839
  • CCRIS 615
  • Disflamoll TOF
  • EC 201-116-6
  • EINECS 201-116-6
  • Flexol plasticizer TOF
  • Flexol TOF
  • HSDB 2562
  • Kronitex TOF
  • NCI-C54751
  • NSC 407921
  • Phosphoric acid, tris(2-ethylhexyl) ester
  • Phosphoric acid, tris(ethylhexyl) ester
  • TOF
  • Tri(2-ethylhexyl) phosphate
  • Tri(2-ethylhexyl)phosphate
  • Triethylhexyl phosphate
  • Trioctyl phosphate
  • Tris(2-ethylhexy)phosphate
  • Tris(2-ethylhexyl) phosphate
  • Tris(2-ethylhexyl)phosphate
  • Tris(ethylhexyl) phosphate
  • Tris-(2-ethylhexyl)fosfat
  • Tris-(2-ethylhexyl)fosfat [Czech]
  • Tris-2(2-ethylhexyl)fosfat
  • Tris-2(2-ethylhexyl)fosfat [Czech]
  • UNII-BQC0BKB72S

Systematic Names

  • 1-Hexanol, 2-ethyl-, phosphate
  • Phosphoric acid, tris(2-ethylhexyl) ester
  • Phosphoric acid, tris(2-ethylhexyl)ester
  • Tris(2-ethylhexyl) phosphate
  • Tris(2-ethylhexyl)phosphate

Superlist Names

  • Phosphoric acid, tris(2-ethylhexyl) ester
  • Tris(2-ethylhexyl) phosphate

Registry Numbers

CAS Registry Number

  • 78-42-2

FDA UNII

  • BQC0BKB72S

Other Registry Number

  • 1546892-14-1

System Generated Number

  • 0000078422

Structure Descriptors

InChI

1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3

InChIKey

GTVWRXDRKAHEAD-UHFFFAOYSA-N

Smiles

P(=O)(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 450mg/m3/30M (450mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1133, 1986.
mammal (species unspecified) LD50 oral 7600mg/kg (7600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LD50 intraperitoneal 3200mg/kg (3200mg/kg)   National Technical Information Service. Vol. OTS0528341,
mouse LD50 oral 12800mg/kg (12800mg/kg)   National Technical Information Service. Vol. OTS0528341,
rabbit LD50 oral 46gm/kg (46000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1133, 1986.
rabbit LD50 skin 20gm/kg (20000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1133, 1986.
rat LD50 intraperitoneal 30gm/kg (30000mg/kg)   National Technical Information Service. Vol. OTS0528341,
rat LD50 oral 37gm/kg (37000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LD50 unreported 40gm/kg (40000mg/kg)   "Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 337, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.40E+01 deg C   EXP
log P (octanol-water) 9.490 (none)   EST
Water Solubility 0.6 mg/L 24 EXP
Vapor Pressure 8.25E-08 mm Hg 25 EXP
Henry's Law Constant 7.86E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.79E-11 cm3/molecule-sec 25 EST

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