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Diisobutyl phthalate information


Diisobutyl phthalate
Names
Preferred IUPAC name
Bis(2-methylpropyl) benzene-1,2-dicarboxylate
Other names
Diisobutyl phthalate
Di-iso-butyl phthalate
Di(i-butyl)phthalate
Diisobutyl ester of phthalic acid
1,2-benzenedicarboxylic acid
Bis(2-methylpropyl)ester
Di(isobutyl) 1,2-benzenedicarboxylate
Isobutyl-O-phthalate
DIBP
DiBP
Palatinol IC
Identifiers
CAS Number
  • 84-69-5 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:79053 checkY
ChemSpider
  • 6524 checkY
ECHA InfoCard 100.001.412 Edit this at Wikidata
EC Number
  • 201-553-2
KEGG
  • C15205 checkY
PubChem CID
  • 6782
RTECS number
  • TI1225000
UNII
  • IZ67FTN290 checkY
CompTox Dashboard (EPA)
  • DTXSID9022522 Edit this at Wikidata
InChI
  • 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 checkY
    Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N checkY
  • InChI=1/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
    Key: MGWAVDBGNNKXQV-UHFFFAOYAA
SMILES
  • O=C(OCC(C)C)c1ccccc1C(=O)OCC(C)C
Properties
Chemical formula
C16H22O4
Molar mass 278.348 g·mol−1
Appearance Colorless viscous liquid
Density 1.038 g/cm3
Melting point −37 °C (−35 °F; 236 K)
Boiling point 320 °C (608 °F; 593 K)
Solubility in water
1 mg/L at 20 °C
log P 4.11
Vapor pressure 0.01 Pa at 20 °C
Hazards
GHS labelling:
Pictograms
GHS08: Health hazard
Signal word
Danger
Hazard statements
H360Df
Precautionary statements
P201, P202, P281, P308+P313, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2
1
0
Flash point 185 °C (365 °F; 458 K) c.c.
Autoignition
temperature
400 °C (752 °F; 673 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Infobox references

Diisobutyl phthalate (DIBP) is a phthalate ester having the structural formula C6H4(COOCH2CH(CH3)2)2. It is formed by the esterification of isobutanol and phthalic anhydride. This and other phthalates are used as plasticizers due to their flexibility and durability. They are found in many industrial and personal products, such as lacquers, nail polish and cosmetics.[1] DIBP can be absorbed via oral ingestion and dermal exposure.[2] When it comes to excretion, DIBP is first converted into the hydrolytic monoester monoisobutyl phthalate (MIBP). The primary excretory route is urine, with biliary excretion being noted in minor amounts. DIBP has lower density and freezing point than the related compound dibutyl phthalate (DBP).[2]

  1. ^ Schettler, Ted (2006-02-07). "Human exposure to phthalates via consumer products". International Journal of Andrology. 29 (1): 134–139. doi:10.1111/j.1365-2605.2005.00567.x. ISSN 0105-6263. PMID 16466533.
  2. ^ a b "Diisobutyl phthalate". PubChem. National Center for Biotechnology Information, U.S. National Library of Medicine. p. 10. 6782. Retrieved 2023-03-17.

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