Allyl Hexanoate

Description

Allyl Hexanoate · CAS 123-68-2 · C9H16O2. UNII 3VH84A363D. Boiling Point: 185.00 °C. @ 760.00 mm Hg; Boiling Point: 185 °C; Density: 0.884-0.890.

Identification

CAS Registry Number	123-68-2
PubChem CID	31266
Molecular formula	C9H16O2
IUPAC name	prop-2-enyl hexanoate
UNII (FDA)	3VH84A363D
FEMA number	2032
JECFA number	3

Computed Descriptors

Molecular Weight	156.22
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	185.00 °C. @ 760.00 mm Hg
Boiling Point	185 °C
Density	0.884-0.890
Refractive Index	1.422-1.426

Physical description & handling notes

• CBI; Dry Powder; Liquid; Liquid
• Colourless to light yellow stable mobile liquid with fatty-fruity pineapple odour
• Insoluble in water and in propylene glycol, soluble in ethanol, fixed and organic oils, and soluble in organic solvents
• 1ml in 6ml 70% ethanol (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 Pineapple JECFA ADI: 0-0.13 mg/kg bw (1990)

GHS Hazard Classification

Reported hazard statements	H301 (94.9%), H311 (97.2%), H315 (13.3%), H319 (10.3%), H331 (76.4%), H400 (80.2%), H410 (11.8%), H411 (14%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 89 consumer products that contain Allyl Caproate in the following categories is provided:
• 2023: 8,500,000 - <10,000,000 lb
• 2022: 8,500,000 - <10,000,000 lb
• 2021: 8,500,000 - <10,000,000 lb

Synonyms

Allyl hexanoate; 123-68-2; Allyl caproate; Hexanoic acid, allyl ester; prop-2-enyl hexanoate; FEMA No. 2032; 3VH84A363D; NSC-20962; DTXSID1047653; RefChem:110871; DTXCID9027653; 204-642-4; Hexanoic acid, 2-propenyl ester; 2-PROPENYL HEXANOATE; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propen-1-yl ester

Frequently Asked Questions

What are the CAS number and molecular formula of Allyl Hexanoate?

CAS 123-68-2; molecular formula C9H16O2; molecular weight — g/mol.

What other names is Allyl Hexanoate known by?

Allyl hexanoate, 123-68-2, Allyl caproate, Hexanoic acid, allyl ester, prop-2-enyl hexanoate, FEMA No. 2032.

What is the regulatory status of Allyl Hexanoate?

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

Is Allyl Hexanoate classified as hazardous?

Hazard statements reported: H301, H311, H315, H319, H331.

What are the key physical properties of Allyl Hexanoate?

Boiling Point: 185.00 °C. @ 760.00 mm Hg; Boiling Point: 185 °C; Density: 0.884-0.890; Refractive Index: 1.422-1.426.

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.