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
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.
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.
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 |
