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| CAS No.: | 2051-78-7 |
|---|---|
| Name: | ALLYL BUTYRATE |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | Butanoicacid, 2-propenyl ester (9CI);Butyric acid, allyl ester (6CI,7CI,8CI);2-Propenyl butanoate;Allyl butanoate;NSC 18600; |
| EINECS: | 218-129-8 |
| Density: | 0.898 g/cm3 |
| Melting Point: | -62.68°C (estimate) |
| Boiling Point: | 147.3 °C at 760 mmHg |
| Flash Point: | 41.7 °C |
| Solubility: | 1.233g/L at 25℃ |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-21/22-36/37/38 |
| Safety: | 16-26-36/37 |
| Transport Information: | UN 1992 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 1.51570 |
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Chemistry
Product Name: Allyl butanoate (CAS NO.2051-78-7)
Molecular Formula: C7H12O2
Molecular Weight: 128.17g/mol
Mol File: 2051-78-7.mol
Einecs: 218-129-8
Boiling point: 147.3 °C at 760 mmHg
Flash Point: 41.7 °C
Density: 0.902 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.414(lit.)
Surface Tension: 26.7 dyne/cm
Enthalpy of Vaporization: 38.43 kJ/mol
Vapour Pressure: 4.44 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Product Categories: A-B; Alphabetical Listings; Flavors and Fragrances; Allyl Monomers; Monomers; Polymer Science
Uses
Flavor. Allyl butanoate (CAS NO.2051-78-7) is mainly used for the preparation of peach and apricot flavor.
Toxicity Data With Reference
| 1. | skn-hmn 20 mg/48H MLD | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. | ||
| 2. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. | ||
| 3. | orl-rat LD50:250 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),378. | ||
| 4. | skn-rbt LD50:530 mg/kg | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. Moderately toxic by skin contact. A human skin irritant. See also ESTERS and ALLYL COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Allyl butanoate (CAS NO.2051-78-7):
Hazard Codes: Xn.gif){kind=small}
Risk Statements: 10-21/22-36/37/38
10: Flammable
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 16-26-36/37
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
Specification
Allyl butanoate ,its CAS NO. is 2051-78-7,the synonyms is Butyric acid allyl ester ; Fema 2021 ; Allyl butyrate ; Allyl n-butyrate ; Allyl butanoate ; Allylbutanoate ; Allylester kyseliny maselne ; Allylesterkyselinymaselne .