Dinonyl Phthalate (mixture of isomers)

Product Information

Molecular Formula:
C26H42O4
Molecular Weight:
418.62
Description
Dinonyl phthalate is an odorless colorless liquid.
Synonyms
Phthalic Acid Dinonyl Ester (mixture of isomers)
IUPAC Name
dinonyl benzene-1,2-dicarboxylate
Canonical SMILES
CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChI Key
DROMNWUQASBTFM-UHFFFAOYSA-N
Boiling Point
245 °C/5 mmHg
Flash Point
220 °C
Purity
>95.0%(GC)
Density
0.97
Solubility
Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters
Appearance
Colorless to Light yellow clear liquid
Application
Used in plastisols and coating pastes, as a low-volatility plasticizer for vinyl resins, as a stationary liquid phase in chromatography, and to make vinyl mixes resistant to heat and detergents.
Refractive Index
1.48
LogP
log Kow = 9.52 (est)
Vapor Pressure
0.00000051 [mmHg]
Henry's Law Constant
1.41X10-5 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomp it emits acrid smoke and irritating fumes.

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
10.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
20
Exact Mass
418.30830982 g/mol
Monoisotopic Mass
418.30830982 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
395
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-114045687-A Mildew-proof antibacterial low-odor PVC coating tent material 2021-12-10
CN-114112597-A Method for preparing milk powder containing phthalate plasticizer and application thereof 2021-12-07
CN-114085143-A Synthesis method of diisodecyl phthalate 2021-11-29
CN-113917757-A Light valve device containing nonlinear structure liquid polymer, nonlinear structure liquid polymer and preparation method thereof 2021-11-26
CN-114015174-A Anti-freezing low-temperature-resistant PVC modified material at-50 ℃ and preparation method thereof 2021-11-16
CN-113956035-A Zirconium oxide composite calcium-phosphorus ceramic slurry and preparation method and application thereof 2021-10-28
CN-113933272-A Fluorescent probe detection method for phthalate plasticizer in food 2021-09-28
CN-113604147-A Waterproof coating for repairing 2021-09-01
CN-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 2021-07-27
CN-113535678-A Construction method of surface water environment priority pollutant list 2021-07-08

Literatures

PMID Publication Date Title Journal
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
24503621 2014-01-01 Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women PloS one
22389718 2012-01-01 Adipocyte-specific protein tyrosine phosphatase 1B deletion increases lipogenesis, adipocyte cell size and is a minor regulator of glucose homeostasis PloS one
21733623 2011-09-15 Subcritical water extraction for the remediation of phthalate ester-contaminated soil Journal of hazardous materials
19291510 2009-03-01 Ameliorative effect of 1,2-benzenedicarboxylic acid dinonyl ester against amyloid beta peptide-induced neurotoxicity Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis
17564456 2007-07-11 Comparison of various extraction methods for policosanol from rice bran wax and establishment of chromatographic fingerprint of policosanol Journal of agricultural and food chemistry
16690494 2006-03-01 Protective effect of Rosa laevigata against amyloid beta peptide-induced oxidative stress Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis
11324602 2001-03-01 Determination of phthalates in crude extracts of sewage sludges by high-resolution capillary gas chromatography with mass spectrometric detection Journal of AOAC International
11174599 2001-02-01 Nasopharyngeal carcinoma: clinical assessment and review of 176 cases Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics
11383157 2001-02-01 [Contents of phthalate in polyvinyl chloride toys] Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
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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