diisooctyl phthalate

Description

diisooctyl phthalate · CAS 27554-26-3 · C24H38O4. UNII 6A121LGB40. Boiling Point: 1288 °F at 760 mmHg (USCG, 1999); Boiling Point: 370 °C; Melting Point: -45 °C.

Identification

CAS Registry Number	27554-26-3
PubChem CID	33934
Molecular formula	C24H38O4
IUPAC name	bis(6-methylheptyl) benzene-1,2-dicarboxylate
UNII (FDA)	6A121LGB40

Computed Descriptors

Molecular Weight	390.6
XLogP3	8.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	390.27700969
Monoisotopic Mass	390.27700969
Topological Polar Surface Area	52.6
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Boiling Point	1288 °F at 760 mmHg (USCG, 1999)
Boiling Point	370 °C
Melting Point	-45 °C
Flash Point	450 °F (USCG, 1999)
Flash Point	450 °F (232 °C) (Closed cup)
Flash Point	227 °C c.c.
Solubility	In water, 9.0X10-2 mg/L at 25 °C
Density	0.980-0.983 at 20 °C/20 °C
Vapor Density	13.5 (Air = 1)
Vapor Pressure	0.0000055 [mmHg]

Physical description & handling notes

• Di-isooctyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999)
• Liquid
• Nearly colorless viscous liquid; [Hawley] Clear colorless viscous liquid; [MSDSonline]
• COLOURLESS VISCOUS LIQUID.
• Nearly colorless, viscous liquid
• Mild odor

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	0.8% (1 / 124)

GHS Hazard Classification

GHS notification summary	0.8% (1 / 124)
Reported hazard statements	H360 (84.7%), H413 (98.4%)

Documented Uses

• Used as plasticizer for polyvinyl chloride jackets for building wire, cellulosic and acrylate resins, and synthetic rubber; Also used as a penetration agent for fungicides; Permitted for use as an additive in plastics in contact with food in Italy and the US; [HSDB]
• PLASTICIZER FOR POLY VINYL CHLORIDE JACKETS FOR BUILDING WIRE
• Plasticizer for vinyl, cellulosic and acrylate resins, and synthetic rubber.
• ITS USE AS AN ADDITIVE IN PLASTICS WHICH WILL COME INTO CONTACT WITH FOOD IS PERMITTED IN ITALY AND UNITED STATES.
• Not Known or Reasonably Ascertainable
• Isomeric esters obtained from phthalic anhydride & the mixed octyl alcohols made by the oxo process.

Synonyms

Diisooctyl phthalate; 27554-26-3; Isooctyl phthalate; Diop; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Di-iso-octyl phthalate; Hexaplas M/O; Corflex 880; Phthalic acid, diisooctyl ester; Flexol Plasticizer DIOP; Diisooctyl 1,2-benzenedicarboxylate; 1,2-Benzenedicarboxylic acid, diisooctyl ester; Phthalic acid, bis(6-methylheptyl)ester; AI3-27697-X (USDA); HEXAPLAS DIOP; JAYFLEX DIOP

Frequently Asked Questions

What are the CAS number and molecular formula of diisooctyl phthalate?

CAS 27554-26-3; molecular formula C24H38O4; molecular weight — g/mol.

What other names is diisooctyl phthalate known by?

Diisooctyl phthalate, 27554-26-3, Isooctyl phthalate, Diop, bis(6-methylheptyl) benzene-1,2-dicarboxylate, Di-iso-octyl phthalate.

What is the regulatory status of diisooctyl phthalate?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is diisooctyl phthalate classified as hazardous?

0.8% of GHS notifications report no hazard classification (1 of 124).

What are the key physical properties of diisooctyl phthalate?

Boiling Point: 1288 °F at 760 mmHg (USCG, 1999); Boiling Point: 370 °C; Melting Point: -45 °C; Flash Point: 450 °F (USCG, 1999).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.