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Substance Name: Diisobutyl phthalate
RN: 84-69-5
UNII: IZ67FTN290
InChIKey: MGWAVDBGNNKXQV-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.3458
 
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Names and Synonyms

Name of Substance

  • Diisobutyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
  • 4-09-00-03177 (Beilstein Handbook Reference)
  • AI3-04278
  • AI3-04278 (USDA)
  • BRN 2054802
  • CCRIS 6193
  • Di(i-butyl)phthalate
  • Di-iso-butyl phthalate
  • DIBP
  • Diisobutyl phthalate
  • Diisobutylester kyseliny ftalove
  • Diisobutylester kyseliny ftalove [Czech]
  • EC 201-553-2
  • EINECS 201-553-2
  • Hatcol DIBP
  • Hexaplas M/1B
  • HSDB 5247
  • Isobutyl phthalate
  • Kodaflex DIBP
  • NSC 15316
  • Palatinol IC
  • Phthalic acid, diisobutyl ester
  • UNII-IZ67FTN290

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
  • 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
  • Diisobutyl phthalate
  • Phthalic acid, diisobutyl ester

Superlist Names

  • Diisobutyl phthalate
  • Phthalic acid, diisobutyl ester

Registry Numbers

CAS Registry Number

  • 84-69-5

FDA UNII

  • IZ67FTN290

System Generated Number

  • 0000084695

Structure Descriptors

InChI

1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey

MGWAVDBGNNKXQV-UHFFFAOYSA-N

Smiles

CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 10gm/kg (10000mg/kg)   EHP, Environmental Health Perspectives. Vol. 4, Pg. 3, 1973.
mouse LD50 intraperitoneal 3990mg/kg (3990mg/kg)   Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 667, 1977.
mouse LD50 oral 10gm/kg (10000mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 39, 1985.
mouse LD50 unreported 10500mg/kg (10500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.
rat LD50 intraperitoneal 3750uL/kg (3.75mL/kg)   Journal of Pharmaceutical Sciences. Vol. 61, Pg. 51, 1972.
rat LD50 oral 15gm/kg (15000mg/kg)   EHP, Environmental Health Perspectives. Vol. 3, Pg. 131, 1973.
rat LD50 unreported 20500mg/kg (20500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(7), Pg. 52, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 296 deg C   EXP
log P (octanol-water) 4.11 (none)   EXP
Water Solubility 6.2 mg/L 24 EXP
Vapor Pressure 6.65E-03 mm Hg 25 EST
Henry's Law Constant 1.22E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.26E-12 cm3/molecule-sec 25 EST

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