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Home › Product Catalog › Allyl 3-cyclohexylpropionate

Allyl 3-cyclohexylpropionate

CAS 2705-87-5C12H20O2MW 196.15 g/mol

Allyl 3-cyclohexylpropionate (CAS 2705-87-5) — formula C12H20O2, molecular weight 196.15 g/mol.

Specifications

CAS Number2705-87-5
Molecular FormulaC12H20O2
Molecular Weight196.15 g/mol
Boiling Point91.00 °C. @ 1.00 mm Hg
LogP3.8

Purchase Profile

What this product is

Allyl 3-cyclohexylpropionate is a chemical compound with CAS registry number 2705-87-5 and molecular formula C12H20O2 (molecular weight 196.15 g/mol).

Identification

CAS number: 2705-87-5

Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.

Also known as: Allyl 3-cyclohexylpropionate · Allyl cyclohexylpropionate

Frequently Asked Questions

What is the CAS number of Allyl 3-cyclohexylpropionate?

The CAS registry number of Allyl 3-cyclohexylpropionate is 2705-87-5.

What is the molecular formula and molecular weight of Allyl 3-cyclohexylpropionate?

Molecular formula C12H20O2, molecular weight 196.15 g/mol.

What other names is Allyl 3-cyclohexylpropionate known by?

It is also registered under: Allyl 3-cyclohexylpropionate, Allyl cyclohexylpropionate.

PubChem Public Data

Public-database records for Allyl 3-cyclohexylpropionate (CAS 2705-87-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH302 (99.9%), H312 (98%), H315 (13%), H317 (83%), H332 (84%), H400 (81.9%), H410 (83.2%), H301

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]

Regulatory listings

Regulatory & Food ContactEU 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

Physical description and 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)

Reported physical properties

沸点91.00 °C. @ 1.00 mm Hg
沸点91 °C (1mm Hg)
密度0.945-0.950
折射率1.457-1.462

How this substance is indexed

CAS Registry Number2705-87-5
PubChem CID17617
分子式C12H20O2
分子量196.15 g/mol
IUPAC 名称prop-2-enyl 3-cyclohexylpropanoate
InChIKeyTWXUTZNBHUWMKJ-UHFFFAOYSA-N
UNII（FDA）H4W9H3L241
ChEBI 编号CHEBI:31188
FEMA 编号2026
JECFA 编号13

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

Names this substance appears under

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

Computed molecular descriptors

分子量196.29
XLogP33.8
氢键供体数0
氢键受体数2
可旋转键数6
精确质量196.146329876
单同位素质量196.146329876
拓扑极性表面积26.3
重原子数14
形式电荷0

Database abstract

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. 沸点: 91.00 °C. @ 1.00 mm Hg; 沸点: 91 °C (1mm Hg); 密度: 0.945-0.950.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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