Allyl cyclohexylpropionate (CAS 2705-87-5) — formula C12H20O2, molecular weight 196.29; category organic chemicals.
| CAS Number | 2705-87-5 |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| Boiling Point | 91.00 °C. @ 1.00 mm Hg |
| LogP | 3.8 |
| Category | Organic Chemicals |
Allyl cyclohexylpropionate is a carbon-based organic compound with CAS registry number 2705-87-5 and molecular formula C12H20O2 (molecular weight 196.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2705-87-5
Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.
Also known as: Allyl cyclohexylpropionate · 菠萝酯 · Allyl 3-cyclohexylpropionate
Category: organic chemicals
The CAS registry number of Allyl cyclohexylpropionate is 2705-87-5.
Molecular formula C12H20O2, molecular weight 196.29.
It is also registered under: Allyl cyclohexylpropionate, 菠萝酯, Allyl 3-cyclohexylpropionate.
Category: Organic Chemicals.
Independent reference data for Allyl cyclohexylpropionate (CAS 2705-87-5), compiled from public chemistry databases.
| 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 |
| 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 |
| 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 |
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
| 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 |
|---|
| Reported hazard statements | H302 (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]
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 菠萝酯