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
Canonical 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.
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.

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
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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