Ditridecyl phthalate

Inquiry

Molecular Formula:

C34H58O4

Molecular Weight:

530.82

CAS Number:

75359-31-8

Catalog Number:

75359-31-8

Product Information

Molecular Formula:

C34H58O4

Molecular Weight:

530.82

Description

Ditridecyl phthalate (CAS# 75359-31-8) is a phthalate derivative with estrogenic activity found in plastics and rubbers.

Synonyms

ditridecyl benzene-1,2-dicarboxylate

IUPAC Name

ditridecyl benzene-1,2-dicarboxylate

Canonical SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3

InChI Key

YCZJVRCZIPDYHH-UHFFFAOYSA-N

Boiling Point

greater than 545 °F at 5 mmHg|

Melting Point

less than -34.6 °F

Flash Point

242 °C

Purity

Multi component mixture (GC)

Density

0.96 g/cm³

Solubility

In general they are liquids of low volatility, Colorless or very slightly colored, & only very slightly sol in water. /phthalic esters/

Appearance

Colorless to almost colorless clear liquid

Application

Used as plasticizer for polyvinyl chloride in cable and high-temperature wire insulation.

Refractive Index

1.48

LogP

10.62220

Vapor Pressure

Vapor pressure for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/

Henry's Law Constant

2.23X10-4 atm-cu m/mol at 25 °C (est)

Decomposition

When heated to decomp it emits acrid smoke and irritating fumes

Safety Information

Precautionary Statement

P260, P261, P272, P280, P302+P352, P314, P321, P333+P313, P363, and P501

Signal Word

Warning

Computed Properties

XLogP3

14.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

530.43351033 g/mol

Monoisotopic Mass

530.43351033 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

499

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
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
JP-2022028679-A	Thermally expandable vinyl chloride resin material, thermally expandable sheet and window frame or door frame	2021-10-26
KR-102339395-B1	Sheet for intercepting radon and construction method	2021-06-09
CN-113249075-A	Sealant composition, silane modified polyether sealant and preparation method thereof	2021-04-15
US-11207334-B1	Fospropofol formulations	2021-03-30
CN-112980167-A	Degradable agricultural mulching film and preparation method thereof	2021-02-26
CN-113004665-A	Antibacterial insect-preventing degradable agricultural mulching film and preparation method thereof	2021-02-26
CN-112731722-A	Suspension for intelligent dimming and intelligent dimming device	2020-12-29
TW-I747656-B	A latex glove capable of maintaining fragrance effect and methods of manufacturing thereof	2020-12-09

Literatures

PMID	Publication Date	Title	Journal
18565632	2008-12-01	Analysis of di-n-butyl phthalate and other organic pollutants in Chongqing women undergoing parturition	Environmental pollution (Barking, Essex : 1987)
5819	1975-10-17	[Clinical experiences with the Kö 1366 (Bunitrololhydrochloride) beta receptor blockader and the combination Kö 1366/Isosorbitdinitrate in patients with coronary disease]	Wiener medizinische Wochenschrift (1946)
5816	1975-01-01	[Evidence of urinary tubular proteins in inflammatory and toxic kidney damage]	Wiener medizinische Wochenschrift. Supplement

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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