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
Canonical 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
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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