Diisopropyl phthalate
Basic information
- CAS
605-45-8- Standard SMILES
CC(C)OC(=O)c1ccccc1C(=O)OC(C)C- InChIKey
QWDBCIAVABMJPP-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Overview
Diisopropyl phthalate is a phthalate ester, an isopropyl ester and a diester.
Names & identifiers
- Preferred name
- Diisopropyl phthalate
- IUPAC
- dipropan-2-yl benzene-1,2-dicarboxylate
- English name
- Diisopropyl phthalate
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
DIISOPROPYL PHTHALATE605-45-8Phthalic acid, diisopropyl esterDIISOPROPYLPHTHALATEdi-i-propyl phthalatedipropan-2-yl benzene-1,2-dicarboxylateDiisopropyl phthalic acidBFC138Q4PXDTXSID2040731UNII-BFC138Q4PXEINECS 210-086-3NSC 15315
Show more names
diisopropylphthalicacidDiisopropyl-o-phthalateDiisopropylPhthalate>Phthalic acid diisopropylPHTHALIC ACID DIISOPROPYL ESTERDiisopropyl phthalate (Standard)Diisopropyl phthalate in n-HexanePHTHALIC ACID, BIS-ISOPROPYL ESTER
BRN 1972723AI3-01766NSC-15315DTXCID00207314-09-00-03175 (Beilstein Handbook Reference)1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTERRefChem:134072InChI=1/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H
Database identifiers
- CAS
605-45-8- PubChem CID
- 11799
- DTXSID
DTXSID2040731- ChEMBL
CHEMBL2130656- ChEBI
CHEBI:34712- UNII
- BFC138Q4PX
- EC Number
- 210-086-3
- Nikkaji
- J45.975E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.83
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section169.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2040731]
Physicochemical properties
- Melting point
- 20 °C · 20 °C
- Boiling point
- 313.42 °C · 313.42°C (rough estimate)
- Density
- 1.063 g/mL · 1.063 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.490(lit.)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Colourless
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TI1350000
- hs_code
- 2917.34.0150
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H351
- Hazard Classifications
- Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester: ACTIVE
Applications
UsesDiisopropyl phthalate may be used as an analytical standard for the determination of the analyte in meter dose inhalers (MDI) and children′s plastic toys by gas chromatography-tandem mass spectrometry (GC-MS/MS) technique.
Additional notes
DefinitionChEBI: Diisopropyl phthalate is a phthalate ester, a diester and an isopropyl ester.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…