Terpinyl isobutyrate

Description

Terpinyl isobutyrate is identified by CAS 7774-65-4, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII Z55SZR66DG; ChEBI 171786; InChIKey SMQUXKIIXFOJKI-UHFFFAOYSA-N. Boiling Point: 242.00 °C. @ 760.00 mm Hg; Boiling Point: 242 °C; Density: 0.931-0.942.

Identification

CAS Registry Number	7774-65-4
PubChem CID	522673
Molecular formula	C14H24O2
Molecular weight	224.18 g/mol
IUPAC name	2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
InChIKey	SMQUXKIIXFOJKI-UHFFFAOYSA-N
UNII (FDA)	Z55SZR66DG
ChEBI ID	CHEBI:171786
FEMA number	3050
JECFA number	371

Computed Descriptors

Molecular Weight	224.34
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	224.177630004
Monoisotopic Mass	224.177630004
Topological Polar Surface Area	26.3
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	242.00 °C. @ 760.00 mm Hg
Boiling Point	242 °C
Density	0.931-0.942
Refractive Index	1.457-1.463

Physical description & handling notes

• clear, colourless liquid
• very slightly
• insoluble in water; soluble in alcohols and oils
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	7.3% (103 / 1413)

GHS Hazard Classification

GHS notification summary	7.3% (103 / 1413)
Reported hazard statements	H315 (92.7%), H319 (92.7%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 1 consumer products that contain Terpinyl Isobutyrate in the following categories is provided:
• Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE

Synonyms

Terpinyl isobutyrate; 7774-65-4; 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate; FEMA No. 3050; P-Menth-1-en-8-yl isobutyrate; .alpha.-Terpinyl isobutyrate; alpha-terpinyl isobutyrate; Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester; UNII-Z55SZR66DG; EINECS 231-878-5; Z55SZR66DG; BRN 3129659; p-menth-1-en-8-yl-isobutyrate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate; .alpha.-Terpinyl ester of isobutanoic acid; DTXSID50864114

Frequently Asked Questions

What are the CAS number and molecular formula of Terpinyl isobutyrate?

CAS 7774-65-4; molecular formula C14H24O2; molecular weight 224.18 g/mol.

What other names is Terpinyl isobutyrate known by?

Terpinyl isobutyrate, 7774-65-4, 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate, FEMA No. 3050, P-Menth-1-en-8-yl isobutyrate, .alpha.-Terpinyl isobutyrate.

What is the regulatory status of Terpinyl isobutyrate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Terpinyl isobutyrate classified as hazardous?

7.3% of GHS notifications report no hazard classification (103 of 1413).

What are the key physical properties of Terpinyl isobutyrate?

Boiling Point: 242.00 °C. @ 760.00 mm Hg; Boiling Point: 242 °C; Density: 0.931-0.942; Refractive Index: 1.457-1.463.

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.