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103-38-8

Basic Information
CAS No.: 103-38-8
Name: BENZYL ISOVALERATE
Article Data: 18
Molecular Structure:
Molecular Structure of 103-38-8 (BENZYL ISOVALERATE)
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
Synthetic route
108-64-5

Ethyl isovalerate

100-51-6

benzyl alcohol

103-38-8

benzyl isovalerate

Conditions
ConditionsYield
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
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In chloroform for 24h; Reflux;80%
1184-53-8

methylcopper

103-38-8

benzyl isovalerate

Conditions
ConditionsYield
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
ConditionsYield
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%
107-86-8

3,3-dimethyl acrylaldehyde

100-51-6

benzyl alcohol

103-38-8

benzyl isovalerate

Conditions
ConditionsYield
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

100-52-7

benzaldehyde

590-86-3

isovaleraldehyde

A

94-46-2

isoamyl benzoate

B

103-38-8

benzyl isovalerate

100-52-7

benzaldehyde

590-86-3

isovaleraldehyde

103-38-8

benzyl isovalerate

Conditions
ConditionsYield
With aluminum ethoxide
539-66-2

sodium isovalerate

100-44-7

benzyl chloride

103-38-8

benzyl isovalerate

539-66-2

sodium isovalerate

501-53-1

benzyl chloroformate

103-38-8

benzyl isovalerate

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  • Benzyl isovalerate

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    103-38-8

    Benzyl isovalerate

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    103-38-8

    Butanoic acid,3-methyl-, phenylmethyl ester

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  • BENZYL ISOVALERATE

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    103-38-8

    BENZYL ISOVALERATE

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    BENZYL ISOVALERATE

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  • Benzyl isovalerate

  • Casno:

    103-38-8

    Benzyl isovalerate

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    103-38-8

    Benzyl ? ?isovalerate

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  • isovaleric acid, benzyl ester

  • Casno:

    103-38-8

    isovaleric acid, benzyl ester

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  • Benzylisovalerate

  • Casno:

    103-38-8

    Benzylisovalerate

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     China (Mainland)  |  Contact Details

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Chemistry

Molecular Structure of Benzyl isovalerate (CAS NO.103-38-8):

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.