Diisopropyl phthalate
Product Information
Molecular Formula
C14H18O4
Molecular Weight
250.29
Description
Diisopropyl phthalate (CAS# 605-45-8) is a volatile components present in essential oils of various plants. It can also be used in the synthesis of enantioenriched C2-symmetric molecules.
Synonyms
dipropan-2-yl benzene-1,2-dicarboxylate
IUPAC Name
dipropan-2-yl benzene-1,2-dicarboxylate
SMILES
CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
InChI
InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChI Key
QWDBCIAVABMJPP-UHFFFAOYSA-N
Boiling Point
302 °C
Melting Point
20 °C
Purity
> 98.0 % (GC)
Density
1.063 g/mL at 20°C(lit.)
Appearance
White or colorless to almost white or almost colorless powder to lump to clear liquid
LogP
2.81700
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
250.12050905 g/mol
Monoisotopic Mass
250.12050905 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
266
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113527233-A | Method for continuously producing succinic anhydride | 2021-08-18 |
| CN-113651783-A | Method for producing maleic anhydride and succinic anhydride in switching mode | 2021-08-18 |
| CN-113671068-A | Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof | 2021-07-27 |
| CN-113634015-A | Device and process for purifying and recycling maleic anhydride solvent | 2021-07-26 |
| CN-113203825-A | Method for simultaneously determining multiple volatile substances in white spirit | 2021-05-24 |
| CN-113087826-A | External electron donor composition, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof | 2021-04-20 |
| CN-113214415-A | Composite external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof | 2021-04-20 |
| CN-113214416-A | Combined external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof | 2021-04-20 |
| CN-113248535-A | Sila 1, 3-diether compound, preparation method thereof, olefin polymerization catalyst and olefin polymerization method | 2021-04-20 |
| CN-113248637-A | External electron donor compound, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof | 2021-04-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21733623 | 2011-09-15 | Subcritical water extraction for the remediation of phthalate ester-contaminated soil | Journal of hazardous materials |
| 18939868 | 2008-11-07 | Concise synthesis of telmisartan via decarboxylative cross-coupling | The Journal of organic chemistry |
| 18260696 | 2008-06-01 | Evaluation of estrogenic activity of phthalate esters by gene expression profiling using a focused microarray (EstrArray) | Environmental toxicology and chemistry |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 11669521 | 2001-10-01 | Application of sweeping to micellar electrokinetic chromatography-atmospheric pressure chemical ionization-mass spectrometric analysis of environmental pollutants | Electrophoresis |
