Diisodecyl Phthalate (mixture of branched chain isomers)
Product Information
Molecular Formula
C28H46O4
Molecular Weight
446.67
Description
Diisodecyl phthalate appears as colorless liquid. May float or sink in water.
Synonyms
Phthalic Acid Diisodecyl Ester (mixture of branched chain isomers)||||DIDP (mixture of branched chain isomers)
IUPAC Name
bis(8-methylnonyl) benzene-1,2-dicarboxylate
SMILES
CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
InChI Key
ZVFDTKUVRCTHQE-UHFFFAOYSA-N
Boiling Point
482 to 495 °F at 4 mmHg
Melting Point
-58 °F
Flash Point
235 °C
Density
0.97
Solubility
Insoluble
Appearance
Colorless to Almost colorless clear liquid
Application
Used as plasticizer for polyvinyl chloride in calendered film, coated fabrics, building wire jackets, wire and cable extrusion, and other applications.
Refractive Index
1.49
Stability
Stable under recommended storage conditions.
LogP
log Kow = 10.36 (est)
Vapor Pressure
0.00000053 [mmHg]
Henry's Law Constant
1.11X10-6 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors.
Odor
Mild odor
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
H413:
May cause long-lasting harmful effects to aquatic life.
Causes skin irritation.
H319:
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P314:
Get medical advice/attention if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P314:
Get medical advice/attention if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
XLogP3
10.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
20
Exact Mass
446.33960994 g/mol
Monoisotopic Mass
446.33960994 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
442
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-114177874-A | Migration-resistant environment-friendly plasticizer production device | 2021-12-31 |
| CN-114106754-A | Nano wave-absorbing particle modified phenolic resin adhesive and preparation method thereof | 2021-12-28 |
| CN-114106490-A | Graphene composite PVC material and preparation method thereof | 2021-12-27 |
| CN-114163970-A | High-strength anti-aging single-component modified sealant for bonding rubber and plastic composite materials and preparation method thereof | 2021-12-23 |
| CN-114031501-A | Method for producing plasticizer without water washing process | 2021-12-06 |
| CN-114108365-A | Melamine softening coated paper and production process thereof | 2021-12-06 |
| CN-113969111-A | Secondary curing UV pressure-sensitive adhesive and preparation method of secondary curing UV pressure-sensitive adhesive and explosion-proof membrane | 2021-12-01 |
| CN-114044991-A | Flame-retardant PVC material and preparation method thereof | 2021-11-29 |
| CN-114085143-A | Synthesis method of diisodecyl phthalate | 2021-11-29 |
| CN-114045140-A | Preparation of bismaleimide modified MS adhesive | 2021-11-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 33983380 | 2021-08-03 | Genomic and Hormonal Biomarkers of Phthalate-Induced Male Rat Reproductive Developmental Toxicity Part II: A Targeted RT-qPCR Array Approach That Defines a Unique Adverse Outcome Pathway | Toxicological sciences : an official journal of the Society of Toxicology |
| 33049310 | 2021-04-01 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
| 32518293 | 2020-06-09 | Long term transcriptional and behavioral effects in mice developmentally exposed to a mixture of endocrine disruptors associated with delayed human neurodevelopment | Scientific reports |
| 32387388 | 2020-05-06 | Effects of in utero exposure to diisodecyl phthalate on fetal testicular cells in rats | Toxicology letters |
| 30398665 | 2019-03-01 | Recovery From a Myocardial Infarction Is Impaired in Male C57bl/6 N Mice Acutely Exposed to the Bisphenols and Phthalates That Escape From Medical Devices Used in Cardiac Surgery | Toxicological sciences : an official journal of the Society of Toxicology |
| 30203046 | 2019-01-01 | Chemical Activation of the Constitutive Androstane Receptor Leads to Activation of Oxidant-Induced Nrf2 | Toxicological sciences : an official journal of the Society of Toxicology |
| 29410257 | 2018-04-01 | Plasticizers used in food-contact materials affect adipogenesis in 3T3-L1 cells | The Journal of steroid biochemistry and molecular biology |
| 29398652 | 2018-02-02 | Prenatal Exposure to Phthalates and the Development of Eczema Phenotypes in Male Children: Results from the EDEN Mother-Child Cohort Study | Environmental health perspectives |
| 27871981 | 2017-01-01 | Oral exposure to diisodecyl phthalate aggravates allergic dermatitis by oxidative stress and enhancement of thymic stromal lymphopoietin | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 27071811 | 2016-12-01 | Accessing the molecular interactions of phthalates and their primary metabolites with the human pregnane X receptor using in silico profiling | Journal of applied toxicology : JAT |
