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CAS No.: | 103-37-7 |
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Name: | Benzyl butyrate |
Article Data: | 64 |
Molecular Structure: | |
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 |
Conditions | Yield |
---|---|
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% |
benzyl (E)-2-butenoate
benzyl butanoate
Conditions | Yield |
---|---|
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. |
Conditions | Yield |
---|---|
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℃; |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate In dichloromethane; water | A 92% B 3% |
benzyl crotonate
benzyl butanoate
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With sodium nitrite In water at 0 - 20℃; for 0.416667h; | 88% |
Conditions | Yield |
---|---|
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; |
4-butanolide
benzyl bromide
A
benzyl butanoate
B
3-benzyltetrahydrofuran-2-one
Conditions | Yield |
---|---|
Stage #1: 4-butanolide With 15-crown-5; potassium In tetrahydrofuran at 20℃; Stage #2: benzyl bromide In tetrahydrofuran | A 12% B 85% |
(3aS,6aR)-1-Butyryl-3,3a,4,6a-tetramethyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione
benzyl alcohol
benzyl butanoate
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran for 12h; Ambient temperature; | 83% |
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
1. | orl-rat LD50:2330 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. |
Reported in EPA TSCA Inventory.
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.
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.