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103-37-7

Basic Information
CAS No.: 103-37-7
Name: Benzyl butyrate
Article Data: 64
Molecular Structure:
Molecular Structure of 103-37-7 (Benzyl butyrate)
Formula: C11H14O2
Molecular Weight: 178.231
Synonyms: Butyricacid, benzyl ester (6CI,7CI,8CI);Benzyl butanoate;Benzyln-butyrate;NSC 8073;Phenylmethyl butanoate;Phenylmethyl butyrate;
EINECS: 203-105-1
Density: 1.016 g/cm3
Boiling Point: 241.1 °C at 760 mmHg
Flash Point: 107.2 °C
Solubility: 136mg/L
Appearance: clear colourless liquid
Safety: 24/25
PSA: 26.30000
LogP: 2.52990
Synthetic route
100-51-6

benzyl alcohol

107-92-6

butyric acid

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate In toluene at 115℃; for 1.5h;98.9%
With pyrographite; toluene-4-sulfonic acid for 0.00555556h; Esterification; Microwave irradiation (675 W);92%
ammonium cerium(IV) nitrate In chloroform at 55 - 60℃;92%
71338-71-1

benzyl (E)-2-butenoate

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; triethylsilane In dichloromethane at 150℃; for 0.5h; Microwave irradiation; chemoselective reaction;96%
With hydrido(triphenylphosphine)copper(I) hexamer In benzene-d6; water for 0.5h; Ambient temperature;95%
With copper(II) acetate monohydrate; tert-butyl alcohol In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Sealed tube; chemoselective reaction;99 %Spectr.
156-54-7

sodium butyrate

100-44-7

benzyl chloride

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With 1,3-dimethylimidazolinium methanesulfonate at 90℃; for 0.5h;95%
With polyethylene glycol 400 at 65 - 70℃; for 4h;95%
With butyric acid at 200℃;
With water at 110 - 115℃;
541-35-5

butanamide

100-51-6

benzyl alcohol

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With cerium(IV) oxide In 1,3,5-trimethyl-benzene at 165℃; for 22h; Inert atmosphere;95%
With zirconium-based metal-organic framework at 150℃; for 44h;84%
123-72-8

butyraldehyde

100-51-6

benzyl alcohol

A

103-37-7

benzyl butanoate

B

100-52-7

benzaldehyde

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate In dichloromethane; waterA 92%
B 3%
103-37-7

benzyl butanoate

Conditions
ConditionsYield
With triethylsilane; sulfuric acid; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 0.5h;88%
With hydrogen; PdOAc,N In methanol at 20℃; for 20h;84%
100-46-9

benzylamine

107-92-6

butyric acid

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With sodium nitrite In water at 0 - 20℃; for 0.416667h;88%
123-20-6

vinyl n-butyrate

100-51-6

benzyl alcohol

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With diethylzinc In hexane; toluene at 20℃; for 2.5h;88%
With TBA7[γ-HGeW10O36] In acetonitrile at 39.84℃; for 0.0166667h;70%
With Candida antarctica lipase B at 50℃; Kinetics; Reagent/catalyst; Ionic liquid; Enzymatic reaction;
With immobilized Burkholderia cepacia lipase In toluene at 44℃; for 3h; Kinetics; Reagent/catalyst; Green chemistry; Enzymatic reaction;
With polyvinyl alcohol : chitosan : lipase (Pseudomonas cepacia) 5:5:2.5 at 52℃; for 3h; Reagent/catalyst; Temperature; Time; Solvent; Concentration; Sonication; Enzymatic reaction;
96-48-0

4-butanolide

100-39-0

benzyl bromide

A

103-37-7

benzyl butanoate

Conditions
ConditionsYield
Stage #1: 4-butanolide With 15-crown-5; potassium In tetrahydrofuran at 20℃;
Stage #2: benzyl bromide In tetrahydrofuran
A 12%
B 85%
146496-88-0

(3aS,6aR)-1-Butyryl-3,3a,4,6a-tetramethyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione

100-51-6

benzyl alcohol

103-37-7

benzyl butanoate

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran for 12h; Ambient temperature;83%
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Chemistry

Molecular Structure of BENZYL n-BUTYRATE (103-37-7):

EINECS: 203-105-1
IUPAC Name:  benzyl butanoate
Molecular Formula: C11H14O2
Molecular Weight: 178.227660 g/mol
Appearance: fruity odor colorless clear liquid
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
InChI: InChI=1/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey: VONGZNXBKCOUHB-UHFFFAOYAD
SMILES: CCCC(=O)OCC1=CC=CC=C1
Index of Refraction: 1.499
Molar Refractivity: 51.47 cm3
Molar Volume: 175.2 cm3
Surface Tension: 35.5 dyne/cm
Density: 1.016 g/cm3
Flash Point: 107.2 °C
Boiling Point: 241.1 °C at 760 mmHg
Vapour Pressure: 0.0366 mmHg at 25 °C
Enthalpy of Vaporization: 47.81 kJ/mol
Water Solubility: 136 mg/L at 25 °C
Refractive Index: n20/D 1.494(lit.)
BRN: 2047625

Toxicity Data With Reference

1.    

orl-rat LD50:2330 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 2 (1964),327.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

The safety information of BENZYL n-BUTYRATE (103-37-7):
Safety Statements: 24/25
24/25: Avoid contact with skin and eyes
WGK Germany: 2
RTECS: ES7350000
Moderately toxic by ingestion. See also ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 BENZYL n-BUTYRATE (103-37-7) has some other names such as N-BUTYRIC ACID BENZYL ESTER ; BUTYRIC ACID BENZYL ESTER ; BENZYL N-BUTANOATE ; BENZYL N-BUTYRATE ; BENZYL BUTANOATE ; BENZYL BUTYRATE ; FEMA 2140 ; Benzylester kyseliny maselne , etc. BENZYL n-BUTYRATE (103-37-7) is a certified natural product which can be used as pharmaceutical intermediate, flavor and fragrance, etc. Make sure it is stored in a cool, dry place and stored in a tightly closed container.