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| CAS No.: | 103-38-8 |
|---|---|
| Name: | BENZYL ISOVALERATE |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16 O2 |
| Molecular Weight: | 192.258 |
| Synonyms: | Isovalericacid, benzyl ester (6CI,8CI); Benzyl 3-methylbutanoate; Benzyl3-methylbutyrate; Benzyl isopentanoate; Benzyl isovalerate; NSC 46124;Phenylmethyl isovalerate |
| Density: | 1g/cm3 |
| Boiling Point: | 245°Cat760mmHg |
| Flash Point: | 98.9°C |
| Solubility: | 238.219mg/L at 30℃ |
| Risk Codes: | 36/38 |
| Safety: | Low toxicity by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS. |
| PSA: | 26.30000 |
| LogP: | 2.77590 |
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| Conditions | Yield |
|---|---|
| titanium tetrachloride In toluene for 4h; Heating; | 98% |
| titanium tetrachloride In toluene for 4h; Heating / reflux; | 98% |
- 1160845-88-4
C12H16N2O2
- 103-38-8
benzyl isovalerate
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In chloroform for 24h; Reflux; | 80% |
| Conditions | Yield |
|---|---|
| With chloromethylsilane In dichloromethane for 4h; Ambient temperature; | 76% |
- 1262801-37-5
3-methyl-1-oxobutan-2-yl 4-nitrobenzoate
- 100-51-6
benzyl alcohol
- 103-38-8
benzyl isovalerate
| Conditions | Yield |
|---|---|
| With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; triethylamine In tetrahydrofuran at 20℃; for 16h; Inert atmosphere; | 74% |
| Conditions | Yield |
|---|---|
| With 1,4-bis[2,6-di(2-propyl)phenyl]-3-phenyl-1H-1,2,4-triazol-4-ium chloride; N-ethyl-N,N-diisopropylamine at 100℃; for 10h; | 72% |
- 555-75-9
aluminum ethoxide
- 100-52-7
benzaldehyde
- 590-86-3
isovaleraldehyde
A
- 94-46-2
isoamyl benzoate
B
- 103-38-8
benzyl isovalerate
| Conditions | Yield |
|---|---|
| With aluminum ethoxide |
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Chemistry
Molecular Structure of Benzyl isovalerate (CAS NO.103-38-8):
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IUPAC Name: benzyl 3-methylbutanoate
Empirical Formula: C12H16O2
Molecular Weight: 192.2542
Index of Refraction: 1.495
Surface Tension: 34.3 dyne/cm
Density: 1 g/cm3
Flash Point: 98.9 °C
Enthalpy of Vaporization: 48.21 kJ/mol
Boiling Point: 245 °C at 760 mmHg
Vapour Pressure: 0.0294 mmHg at 25°C
bp: 116 °C9 mm Hg(lit.)
Synonyms: 3-methylbutanoicacidphenylmethylester ; 3-methyl-butanoicaciphenylethylester ; 3-methyl-butanoicaciphenylmethylester ; Benzyl isopentanoate ; Butanoic acid, 3-methyl-, phenylethyl ester;Butanoic acid, 3-methyl-, phenylmethyl ester ; Butanoicacid,3-methyl-,phenylmethylester ; Isopentanoic acid, phenylmethyl ester
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 12 (1974),829. | ||
| 2. | orl-rat LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),829. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),829. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Specification
Benzyl isovalerate (CAS NO.103-38-8) is a colorless liquid, with floral, herbal aroma and like apples and blue cheese aroma. Soluble in ethanol and most of the non-volatile oil, slightly soluble in propylene glycol, glycerin and insoluble in water, can be used as edible spices, derived by the esterification of isovaleric acid and benzyl alcohol .
Benzyl isovalerate (CAS NO.103-38-8) is a toxic material,be corrosive,burning will produce nitrogen oxides emitted toxic fumes.Besides should be stored and transported in low-temperature,drying environment. separately with oxidizing agents.Fire extinguishing agents water, carbon dioxide, dry powder, foam would be used if emergency.