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| CAS No.: | 4230-97-1 |
|---|---|
| Name: | ALLYL CAPRYLATE |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C11H20 O2 |
| Molecular Weight: | 184.279 |
| Synonyms: | Octanoicacid, 2-propenyl ester (9CI); Octanoic acid, allyl ester (7CI,8CI); 2-Propenyloctanoate; Allyl caprylate; Allyl octanoate; NSC 32645 |
| Density: | 0.883g/cm3 |
| Melting Point: | -58.7°C (estimate) |
| Boiling Point: | 234.1°Cat760mmHg |
| Flash Point: | 95°C |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | Moderately toxic by ingestion. A skin irritant. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 26.30000 |
| LogP: | 3.07610 |
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Chemistry
Product Name: Allyl octanoate (CAS NO.4230-97-1)
Molecular Formula: C11H20O2
Molecular Weight: 184.28g/mol
Mol File: 4230-97-1.mol
Einecs: 224-184-9
Boiling point: 234.1 °C at 760 mmHg
Flash Point: 95 °C
Density: 0.881 g/mL at 25 °C(lit.)
Surface Tension: 28.8 dyne/cm
Enthalpy of Vaporization: 47.08 kJ/mol
Vapour Pressure: 0.0539 mmHg at 25°C
XLogP3-AA: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Uses
GB 2760 - 1998 provides for the use of food with the spices. Allyl octanoate (CAS NO.4230-97-1) is mainly used for the preparation of pineapple, bananas, fat incense and fruit type fragrance.
Production
Allyl octanoate (CAS NO.4230-97-1) is made by the bitterness and allyl alcohol in benzene-β-naphthalene sulfonic acid in the presence of esterification.
Toxicity Data With Reference
| 1. | skn-rbt 310 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),637. | ||
| 2. | orl-rat LD50:570 mg/kg | FCTXAV Food and Cosmetics Toxicology. 16 (1978),637. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. A skin irritant. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Allyl octanoate (CAS NO.4230-97-1):
Hazard Codes: Xi.gif){kind=small}
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Specification
Allyl octanoate ,its CAS NO. is 4230-97-1,the synonyms is Fema 2037 ; Allyl-n-caprylate ; Allyl caprylate ; Allyl octanoate ; Aldehyde c-19 ; 2-Propenyl octanoate ; Allyl n-octanoate ; Octanoic acid, allyl ester .