8.14732

Diisodecyl phthalate

for synthesis

• Synonym(s): Diisodecyl phthalate, 1,2-Benzenedicarboxylic acid diisodecyl ester
• Empirical Formula (Hill Notation): C₂₈H₄₆O₄
• CAS Number: 26761-40-0
• Molecular Weight: 446.66
• MDL number: MFCD00048389
• UNSPSC Code: 12352108
• EC Index Number: 247-977-1
• NACRES: NA.22

Properties

• vapor pressure: 0.1 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (acidimetric)
• form: liquid
• autoignition temp.: 380 °C
• potency: >5000 mg/kg LD₅₀, oral (Rat); >3160 mg/kg LD₅₀, skin (Rabbit)
• bp: 250-267 °C/7 hPa
• mp: -50 °C
• transition temp: flash point 240 °C
• solubility: 0.00028 g/L
• density: 0.97 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(CCCCCCCC(C)C)C(=O)c1c(cccc1)C(=O)OCCCCCCCC(C)C
• 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

Description

Application

• Evaluating phthalate contaminant migration using thermal desorption–gas chromatography–mass spectrometry (TD–GC–MS): This study investigates the migration of phthalates, including diisodecyl phthalate, from materials like polyvinyl chloride, providing insights crucial for assessing exposure risks associated with everyday materials (Ouchi et al., 2019).
• Toxicity and estrogenic endocrine disrupting activity of phthalates and their mixtures: This research focuses on the health effects of various phthalates, emphasizing the potential endocrine-disrupting properties of compounds like diisodecyl phthalate, which are widely used in consumer products (Chen et al., 2014).

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Density (d 20 °C/ 4 °C): 0.963 - 0.968
Identity (IR): passes test

Safety Information

• Hazard Statements: H413
• Precautionary Statements: P273 - P501
• Hazard Classifications: Aquatic Chronic 4
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 527.0 °F - closed cup
• Flash Point(C): 275.00 °C - closed cup