Dioctyl phthalate

Base Information

• Chemical Name: Dioctyl phthalate
• CAS No.: 117-84-0
• Deprecated CAS: 8031-29-6
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Hs Code.: 29173200
• European Community (EC) Number: 271-085-1,204-214-7,617-053-6
• NSC Number: 15318
• UN Number: 3082
• UNII: 8X3RJ0527W
• DSSTox Substance ID: DTXSID1021956
• Nikkaji Number: J2.474K
• Wikidata: Q908490
• Metabolomics Workbench ID: 67560
• ChEMBL ID: CHEMBL1409747
• Mol file: 117-84-0.mol

Synonyms:Bis(2-ethylhexyl)phthalate;DEHP;Di 2 Ethylhexylphthalate;Di(2-ethylhexyl)phthalate;Di-2-Ethylhexylphthalate;Diethylhexyl Phthalate;Dioctyl Phthalate;Phthalate, Diethylhexyl;Phthalate, Dioctyl

Chemical Property of Dioctyl phthalate

Chemical Property:

• Appearance/Colour: clear liquid with a mild odor
• Vapor Pressure: 5(x 10-8 mmHg) at 82 °C, 500 at 132 °C (Gross and Colony, 1973)
• Melting Point: -25 °C
• Refractive Index: n20/D 1.485
• Boiling Point: 416.4 °C at 760 mmHg
• Flash Point: 222.3 °C
• PSA: 52.60000
• Density: 0.985 g/cm³
• LogP: 6.72120
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 369
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Di-n-octyl phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: 60-61
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
• Physical properties: Clear, light colored, viscous, oily liquid with a slight odor
• Uses: Dioctyl phthalate is used as a plasticizer in various plastic materials. Di-n-octyl phthalate is used as a plasticizer for many resins and elastomers. It acts as an additive. It is also used for medical tubing and blood storage bags, wire and cables, carpet back coating, floor tile and in cosmetics. Phthalate ester used as plasticizers and additives. Used in toxicology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).

Technology Process of Dioctyl phthalate

There total 10 articles about Dioctyl phthalate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

phthalic anhydride (85-44-9) + octanol (111-87-5) → Di-n-octyl phthalate (117-84-0,8031-29-6)

Guidance literature:

zirconium(IV) oxide; at 200 ℃; for 2h; in autoclave;

DOI:10.1246/bcsj.62.2353

Reference yield: 96.0%

octanol (111-87-5) + o-phthalic dicarboxaldehyde (643-79-8) → Di-n-octyl phthalate (117-84-0,8031-29-6)

Guidance literature:

With tert.-butylhydroperoxide; In decane; at 25 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c5ob01586c

Reference yield: 54.0%

phthalic anhydride (85-44-9) + octanol (111-87-5) → Di-n-octyl phthalate (117-84-0,8031-29-6) + Mono-n-octyl phthalate (5393-19-1)

Guidance literature:

With montmorillonite K-10; In tetrachloromethane; at 76 ℃; for 12h;

upstream raw materials:

phthalic anhydride

octanol

Diethyl phthalate

benzene-1,2-dicarboxylic acid

Downstream raw materials:

benzene-1,2-dicarboxylic acid

Mono-n-octyl phthalate

4-methyl-tetrahydro-pyran-2-one

3-methylpentane-1,5-diol

Refernces

LAURATES OF LACTIC ACID ESTERS

10.1021/jo01149a013

The study focuses on the preparation and physical properties of lactate laurates, which are potential plasticizers and synthetic lubricants. The chemicals involved include lactic esters such as sec-butyl lactate, isobutyl lactate, methyl isobutyl carbinyl lactate, 2-ethoxyethyl lactate, cyclohexyl lactate, ethylhexyl lactate, and 2-(2-butoxyethoxy)ethyl lactate. These lactic esters were prepared by esterification of lactic acid or alcoholysis of methyl lactate. Laurates were then produced by acylating these lactic esters with lauroyl chloride. The study investigates the boiling points of these lactate laurates at different pressures and compares them with other compounds like n-butyl, tetrahydrofurfuryl, and benzyl laurates. The lactate laurates were found to have boiling points between those of n-butyl phthalate and n-octyl phthalate, two common plasticizers. The study also provides equations to predict the boiling points of other lactate laurates based on the normal boiling points of their corresponding alcohols.