Dipropyl phthalate

Product Information

Molecular Formula:
C14H18O4
Molecular Weight:
250.29
Description
Plasticizer.
Synonyms
dipropyl benzene-1,2-dicarboxylate
IUPAC Name
dipropyl benzene-1,2-dicarboxylate
Canonical SMILES
CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
InChI
InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key
MQHNKCZKNAJROC-UHFFFAOYSA-N
Boiling Point
317.5 °C (lit.)
Flash Point
228.2 °F
Purity
95 %
Density
1.078 g/mL at 25°C(lit.)
Solubility
Soluble in chloroform, methanol
Appearance
Clear colorless liquid
Application
Used to make plasticizers and plastics and for laboratory applications.
Refractive Index
n20/D 1.497 (lit.)
LogP
2.82020
Vapor Pressure
0.000132 [mmHg]

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H361:
Suspected of damaging fertility or the unborn child.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201, P202, P273, P281, P308+P313, P391, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
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
247
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-114146695-A Preparation method of phthalate magnetic molecularly imprinted polymer extraction material 2021-12-17
CN-114181922-A Recombinant esterase, gene, recombinant bacterium and application of recombinant esterase to degradation of phthalate 2021-12-10
CN-113929572-A Method for synthesizing triethylene glycol dipropyl ester and application thereof 2021-11-11
CN-113896863-A Epoxy resin glass high polymer material, three-component epoxy solution, preparation method and application 2021-11-09
CN-114094102-A Secondary battery 2021-11-03
CN-113975962-A Amino acid chelate deodorant and preparation method thereof 2021-11-02
CN-113975981-A Poly (4-methyl-1-pentene)/polysulfone blended hollow fiber membrane, preparation method and application in artificial lung 2021-09-07
CN-113680337-A Preparation method of carbamido/long-chain alkyl dual-functionalized silica gel stationary phase 2021-08-24
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

Literatures

PMID Publication Date Title Journal
28927721 2018-02-01 Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay Toxicology in vitro : an international journal published in association with BIBRA
27432241 2016-01-01 Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products The Journal of toxicological sciences
25938866 2015-06-15 Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor Chemical research in toxicology
23843199 2014-07-01 Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach Journal of applied toxicology : JAT
22398195 2012-07-01 Endocrine disruptors and asthma-associated chemicals in consumer products Environmental health perspectives
22148634 2012-01-01 Easy synthesis of surface-tunable carbon-encapsulated magnetic nanoparticles: adsorbents for selective isolation and preconcentration of organic pollutants ACS applied materials & interfaces
21740974 2011-09-01 Differential immune responses of the green neon shrimp (Neocaridina denticulate) to dipropyl phthalate Fish & shellfish immunology
21621291 2011-07-01 Comparison of nonideal sorption formulations in modeling the transport of phthalate esters through packed soil columns Journal of contaminant hydrology
20652869 2011-01-01 Developmental toxic potential of di-n-propyl phthalate administered orally to rats Journal of applied toxicology : JAT
20822795 2010-12-01 Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases Chemosphere
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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