4230-97-1
allyl caprylate
CAS: 4230-97-1
Molecular Formula: C11H20O2
4230-97-1 - Names and Identifiers
| Name | allyl caprylate |
| Synonyms | FEMA 2037 ALDEHYDE C-19 ALLYL OCTANOATE ALLYL CAPRYLATE allyl caprylate Allyl n-octanoate ALLYL-N-CAPRYLATE 2-PROPENYL OCTANOATE prop-2-enyl octanoate |
| CAS | 4230-97-1 |
| EINECS | 224-184-9 |
| InChI | InChI=1/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3 |
4230-97-1 - Physico-chemical Properties
| Molecular Formula | C11H20O2 |
| Molar Mass | 184.28 |
| Density | 0.881g/mLat 25°C(lit.) |
| Melting Point | -58.7°C (estimate) |
| Boling Point | 87-88°C6mm Hg(lit.) |
| Flash Point | 203°F |
| JECFA Number | 5 |
| Vapor Presure | 0.0539mmHg at 25°C |
| Refractive Index | n20/D 1.432(lit.) |
| Physical and Chemical Properties | Colorless to pale yellow oily liquid. Fruit aroma and wine-like breath. Boiling Point 222 °c, or 87-88 °c (800Pa). Insoluble in glycerol and water, slightly soluble in propylene glycol, soluble in ethanol and non-volatile oils. |
4230-97-1 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | RH0365000 |
4230-97-1 - Nature
Open Data Verified Data
A slightly yellowish viscous liquid. Strong fruit flavor like banana, pineapple.
Last Update：2024-01-02 23:10:35
4230-97-1 - Preparation Method
Open Data Verified Data
by octanoic acid and allyl alcohol with benzene as dehydrating agent, beta Naphthalene sulfonic acid in the presence of catalytic esterification products.
Last Update：2022-01-01 10:08:12
4230-97-1 - Use
Open Data Verified Data
It is widely used in food flavor and daily chemical flavor, pineapple flavor and as daily chemical flavor. The dosage of food flavor was 0.1~5.1mg/kg. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2022-01-01 10:08:12
4230-97-1 - Safety
Open Data Verified Data
rat acute oral LD50:0.57-0. 77g/kg. The rabbit percutaneous LD50 values exceeded 0.625g/kg. In the closed condition, the sample was applied to the skin of the rabbit for 1 day, and moderate irritation was observed. Even at a dosage of 0.31g/kg, the same phenomenon was observed. Irritation and sensitization were not observed in a two-day closed skin contact test in humans using a 4% Vaseline formulation.
Last Update：2022-01-01 10:08:13
4230-97-1 - Reference Information
| FEMA | 2037 | ALLYL OCTANOATE |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by non-polar column method in gas chromatography (GT-10-4). |
| toxicity | LD50 570mg/kg (rat, oral). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 1.7; Cold drink 3.3; Candy 5.1; Baked products 4.0; Pudding 0.10. FDA,§ 172.515: Limited to Moderate Amount. |
| use | GB 2760-1998 specified as allowed food spices. Mainly used to prepare pineapple, banana, fat fragrance and fruit fragrance essence. |
| Production method | It is formed by esterification of caprylic acid and allyl alcohol in the presence of naphthalene-β-sulfonic acid in benzene. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 570 mg/kg |
| stimulation data | skin-rabbit 310 mg/24 hours moderate |
| flammability hazard characteristics | combustible; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-10 22:29:15
