菠萝酯

Description

Allyl 3-cyclohexylpropionate is identified by CAS 2705-87-5, molecular formula C12H20O2 and molecular weight 196.15 g/mol. UNII H4W9H3L241; ChEBI 31188; InChIKey TWXUTZNBHUWMKJ-UHFFFAOYSA-N. Boiling Point: 91.00 °C. @ 1.00 mm Hg; Boiling Point: 91 °C (1mm Hg); Density: 0.945-0.950.

Identification

CAS Registry Number	2705-87-5
PubChem CID	17617
Molecular formula	C12H20O2
Molecular weight	196.15 g/mol
IUPAC name	prop-2-enyl 3-cyclohexylpropanoate
InChIKey	TWXUTZNBHUWMKJ-UHFFFAOYSA-N
UNII (FDA)	H4W9H3L241
ChEBI ID	CHEBI:31188
FEMA number	2026
JECFA number	13

Computed Descriptors

Molecular Weight	196.29
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	91.00 °C. @ 1.00 mm Hg
Boiling Point	91 °C (1mm Hg)
Density	0.945-0.950
Refractive Index	1.457-1.462

Physical description & handling notes

• Liquid; CBI
• Colourless liquid with a pineapple odour
• Soluble in ether, higher oils and fatty oils. Insoluble in glycerine and water
• 1ml in 4ml 80% 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 No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H302 (99.9%), H312 (98%), H315 (13%), H317 (83%), H332 (84%), H400 (81.9%), H410 (83.2%), H301

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 120 consumer products that contain Allyl Cyclohexylpropionate in the following categories is provided:
• Allyl 3-cyclohexylpropionate; 2-Propen-1-yl cyclohexanepropionate; Allyl 3-cyclohexylpropanoate; Allyl beta-cyclohexylpropionate; Allyl β-cyclohexylpropionate; Allyl cyclohexanepropionate; Allyl cyclohexylpropionate; Allyl hexahydrophenylpropionate; Cyclohexanepropionic acid, 2-propenyl ester; Prop-2-enyl 3-cyclohexylpropanoate; Cyclohexylpropionic acid allyl ester
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard

Synonyms

2705-87-5; Allyl cyclohexanepropionate; Allyl cyclohexylpropionate; Cyclohexanepropanoic acid, 2-propenyl ester; Allyl 3-cyclohexylpropionate; 3-Allylcyclohexyl propionate; Prop-2-en-1-yl 3-cyclohexylpropanoate; Allyl hexahydrophenylpropionate; prop-2-enyl 3-cyclohexylpropanoate; Allyl beta-cyclohexylpropionate; FEMA No. 2026; 2-Propenyl cyclohexanepropanoate; CYCLOHEXANEPROPIONIC ACID, ALLYL ESTER; Cyclohexanol, 3-allyl-, propionate; 2-Propen-1-yl cyclohexanepropionate; EINECS 220-292-5

Frequently Asked Questions

What are the CAS number and molecular formula of Allyl 3-cyclohexylpropionate?

CAS 2705-87-5; molecular formula C12H20O2; molecular weight 196.15 g/mol.

What other names is Allyl 3-cyclohexylpropionate known by?

2705-87-5, Allyl cyclohexanepropionate, Allyl cyclohexylpropionate, Cyclohexanepropanoic acid, 2-propenyl ester, Allyl 3-cyclohexylpropionate, 3-Allylcyclohexyl propionate.

What is the regulatory status of Allyl 3-cyclohexylpropionate?

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

Is Allyl 3-cyclohexylpropionate classified as hazardous?

Hazard statements reported: H302, H312, H315, H317, H332.

What are the key physical properties of Allyl 3-cyclohexylpropionate?

Boiling Point: 91.00 °C. @ 1.00 mm Hg; Boiling Point: 91 °C (1mm Hg); Density: 0.945-0.950; Refractive Index: 1.457-1.462.

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.