Diisopropyl phthalate - CAS 605-45-8
Catalog: |
BB030722 |
Product Name: |
Diisopropyl phthalate |
CAS: |
605-45-8 |
Synonyms: |
dipropan-2-yl benzene-1,2-dicarboxylate |
IUPAC Name: | dipropan-2-yl benzene-1,2-dicarboxylate |
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. |
Molecular Weight: | 250.29 |
Molecular Formula: | C14H18O4 |
Canonical 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 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
Publication Number | Title | Priority Date |
WO-2021118145-A1 | Method for preparing olefin-based polymer by gas-phase polymerization | 20191209 |
WO-2021055430-A1 | Catalyst composition for polyolefin polymers | 20190918 |
WO-2021043784-A1 | Healthcare article comprising a random propylene-ethylene copolymer. | 20190906 |
WO-2021019412-A1 | Composition of chlorantraniliprole, picoxystrobin and propiconazole | 20190726 |
WO-2020237772-A1 | Industrial preparation method for ziegler-natta catalyst | 20190528 |
PMID | Publication Date | Title | Journal |
21733623 | 20110915 | Subcritical water extraction for the remediation of phthalate ester-contaminated soil | Journal of hazardous materials |
18939868 | 20081107 | Concise synthesis of telmisartan via decarboxylative cross-coupling | The Journal of organic chemistry |
18260696 | 20080601 | Evaluation of estrogenic activity of phthalate esters by gene expression profiling using a focused microarray (EstrArray) | Environmental toxicology and chemistry |
16497524 | 20061101 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
11669521 | 20011001 | Application of sweeping to micellar electrokinetic chromatography-atmospheric pressure chemical ionization-mass spectrometric analysis of environmental pollutants | Electrophoresis |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.12050905 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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