Diheptyl phthalate
Product Information
Molecular Formula
C22H34O4C22H34O4
Molecular Weight
362.5
Description
DES and 1-octanol can be blended with B5 palm oil biodiesel to improve the oxygen content and achieve a greener emission of combustion gases. It may also be used as a novel and highly efficient solvent to capture carbon dioxide(CO2) which can be potentially used as a technique to reduce carbon emission.
Synonyms
Phthalic acid diheptyl ester
IUPAC Name
diheptyl benzene-1,2-dicarboxylate
SMILES
CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key
JQCXWCOOWVGKMT-UHFFFAOYSA-N
Boiling Point
195 °C/0.04 mmHg(lit.)
Flash Point
235.4 °F
Purity
97%
Density
1 at 68 °F (est.)
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
liquid
Application
Used as a plasticizer for vinyl resins.
Refractive Index
n20/D 1.485 (lit.)
LogP
log Kow = 7.56 (est)
Vapor Pressure
0.00000207 [mmHg]
Henry's Law Constant
3.54X10-6 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
Odor
Practically odorless
Computed Properties
XLogP3
8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
16
Exact Mass
362.24570956 g/mol
Monoisotopic Mass
362.24570956 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
344
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-114181410-A | Petroleum resin emulsion and preparation method thereof | 2021-12-31 |
| CN-113969251-A | Streptococcus basalis and application thereof in biosynthesis of catechin derivatives | 2021-11-30 |
| JP-2022033116-A | Refractory resin composition, refractory sheet and fittings | 2021-11-25 |
| CN-113881168-A | Reusable composition for mold and mold manufacturing method | 2021-11-09 |
| CN-113975779-A | Flexible self-adaptation protective equipment | 2021-10-26 |
| CN-113637101-A | Catalyst for alpha-olefin polymerization, preparation method and application | 2021-09-02 |
| 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 |
| CN-113480859-A | Rubber protective wax, and preparation method and application thereof | 2021-07-28 |
| CN-113671068-A | Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof | 2021-07-27 |
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 |
| 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 |
| 22112501 | 2012-02-01 | Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency | Toxicological sciences : an official journal of the Society of Toxicology |
| 22687992 | 2012-01-01 | Twenty-six-week oral toxicity of diheptyl phthalate with special emphasis on its induction of liver proliferative lesions in male F344 rats | The Journal of toxicological sciences |
| 21907788 | 2011-11-01 | Prenatal developmental toxicity studies on di-n-heptyl and di-n-octyl phthalates in Sprague-Dawley rats | Reproductive toxicology (Elmsford, N.Y.) |
| 21733623 | 2011-09-15 | Subcritical water extraction for the remediation of phthalate ester-contaminated soil | Journal of hazardous materials |
| 19840837 | 2010-02-01 | Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice | Toxicology letters |
| 19956573 | 2009-12-02 | Chemical analysis and risk assessment of diethyl phthalate in alcoholic beverages with special regard to unrecorded alcohol | PloS one |
| 19643158 | 2009-10-01 | Induction of liver preneoplastic foci in F344 rats subjected to 28-day oral administration of diheptyl phthalate and its in vivo genotoxic potential | Toxicology |
| 17070038 | 2007-09-01 | Removal of phthalate esters by alpha-cyclodextrin-linked chitosan bead | Bioresource technology |
