Diisopropyl adipate

Description

Diisopropyl adipate · CAS 6938-94-9 · C12H22O4. UNII P7E6YFV72X. Boiling Point: 251.00 to 253.00 °C. @ 760.00 mm Hg; Boiling Point: 251-253 °C; Melting Point: -1 °C.

Identification

CAS Registry Number	6938-94-9
PubChem CID	23368
Molecular formula	C12H22O4
IUPAC name	dipropan-2-yl hexanedioate
UNII (FDA)	P7E6YFV72X
FEMA number	4474
JECFA number	1966

Computed Descriptors

Molecular Weight	230.30
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	230.15180918
Monoisotopic Mass	230.15180918
Topological Polar Surface Area	52.6
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	251.00 to 253.00 °C. @ 760.00 mm Hg
Boiling Point	251-253 °C
Melting Point	-1 °C
Density	0.963-0.968 (20 °C)
Refractive Index	1.423-1.427

Physical description & handling notes

• Liquid
• Clear colourless liquid; Light alcoholic aroma
• Practically insoluble or insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Dairy No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/71
GHS notification summary	88.8% (326 / 367)

GHS Hazard Classification

GHS notification summary	88.8% (326 / 367)
Reported hazard statements	H315 (10.4%)

Documented Uses

• CIR ingredient: Diisopropyl Adipate
• EPA Safer Chemical Functional Use Classes -> Solvents
• Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Not Known or Reasonably Ascertainable

Synonyms

DIISOPROPYL ADIPATE; 6938-94-9; Adipic acid diisopropyl ester; Isopropyl adipate; Ceraphyl 230; Adipic acid, diisopropyl ester; Crodamol DA; Hexanedioic acid, bis(1-methylethyl) ester; Bis(1-methylethyl)hexanedioate; DTXSID5027641; P7E6YFV72X; NSC-56587; Hexanedioic acid, 1,6-bis(1-methylethyl) ester; DTXCID507641; FEMA NO. 4474; RefChem:587896

Frequently Asked Questions

What are the CAS number and molecular formula of Diisopropyl adipate?

CAS 6938-94-9; molecular formula C12H22O4; molecular weight — g/mol.

What other names is Diisopropyl adipate known by?

DIISOPROPYL ADIPATE, 6938-94-9, Adipic acid diisopropyl ester, Isopropyl adipate, Ceraphyl 230, Adipic acid, diisopropyl ester.

What is the regulatory status of Diisopropyl adipate?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is Diisopropyl adipate classified as hazardous?

88.8% of GHS notifications report no hazard classification (326 of 367).

What are the key physical properties of Diisopropyl adipate?

Boiling Point: 251.00 to 253.00 °C. @ 760.00 mm Hg; Boiling Point: 251-253 °C; Melting Point: -1 °C; Density: 0.963-0.968 (20 °C).

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.