Ditridecyl phthalate
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
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
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
28
Exact Mass
530.43351033 g/mol
Monoisotopic Mass
530.43351033 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
499
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-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 |
