Conditions | Yield |
---|---|
With iodine for 15h; Ambient temperature; | 100% |
With magnesium(II) perchlorate at 20℃; for 0.25h; | 100% |
With nickel dichloride for 0.116667h; microwave irradiation; | 100% |
Conditions | Yield |
---|---|
Amberlyst A27 In toluene at 95℃; for 20h; | 100% |
With dicyclohexano-18-crown-6 In acetonitrile at 60℃; for 0.5h; Product distribution; further reagents; | 85.4% |
With zirconium (benzyldiethylammoniomethylphosphonate chloride) phosphate In water; toluene at 88℃; for 15h; | 82.5% |
Conditions | Yield |
---|---|
zirconium(IV) oxide In toluene for 1h; Heating; in vapor-phase at 150 deg C; | 100% |
LaY zeolite at 116℃; for 8h; Acetylation; | 99% |
With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.25h; | 99% |
Conditions | Yield |
---|---|
Sucrose-ethyleneoxide adducts In acetonitrile at 20℃; for 8h; Product distribution; further catalysts: PEG, DB18K6; further objects of study: phase-transfer catalysis; further solvents: toluene/H2O; | 100% |
With ammonium salt In neat (no solvent) for 2h; Ambient temperature; | 99% |
With tetradecane; potassium acetate; magnetic nanoparticle-supported crown ether In toluene at 80℃; for 8h; | 96% |
Conditions | Yield |
---|---|
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Temperature; Inert atmosphere; | 100% |
With heterogeneous zinc/imidazole catalyst at 90℃; for 1h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 99% |
With C12F18O13Zn4 for 18h; Reflux; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Temperature; Inert atmosphere; Molecular sieve; | 100% |
1,3-dicyclohexyl-imidazol-2-ylidene In tetrahydrofuran at 20℃; for 1h; | 95% |
With 4 A molecular sieve; 1,3-di-tBu-2,3-dihydroimidazole carbene-polydimethylsiloxane at 20℃; for 6h; | 95% |
1-ethoxy-2-(trimethylsilyl)vinyl acetate
benzyl alcohol
Benzyl acetate
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 60℃; for 48h; | 100% |
Conditions | Yield |
---|---|
With 1,3-dicyclohexylimidazolium-2-thiocarboxylate In tetrahydrofuran at 80℃; for 2h; Inert atmosphere; | A 100% B n/a |
With lipase from Pseudomonas Cepacia In benzene at 35℃; other ω-substituted-1-alkanols, var. solvents; kinetic parameters of transesterification; |
Conditions | Yield |
---|---|
Y5(OiPr)13O at 20℃; for 42h; Acetylation; transesterification; | 100% |
With dilithium tetra(tert-butyl)zincate In tetrahydrofuran at 25℃; for 1h; Reagent/catalyst; Solvent; Time; Temperature; Inert atmosphere; | 100% |
With P(MeNCH2CH2)3N In tetrahydrofuran for 2h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
Y5(OiPr)13O at 20℃; for 1h; Acetylation; transesterification; | 100% |
With indium(III) perchlorate; lithium perchlorate In ethyl acetate at 20℃; for 0.75h; | 99% |
With iodine at 85 - 90℃; for 0.0833333h; | 98% |
Conditions | Yield |
---|---|
sodium tetracarbonyl cobaltate In toluene for 12h; | 100% |
Conditions | Yield |
---|---|
In glycerol at 80℃; for 1h; Solvent; | 100% |
In glycerol at 70℃; for 1h; | 20% |
Conditions | Yield |
---|---|
With aluminum oxide at 25℃; for 0.25h; | 99% |
bismuth(III) oxychloride In dichloromethane at 20℃; for 0.0833333h; | 98% |
In dichloromethane 1.) 0 deg C, 2.) room temperature, 1 h; | 97% |
Conditions | Yield |
---|---|
With indium; sodium dodecyl-sulfate at 60℃; for 0.5h; | 99% |
With borohydride exchange resin; nickel diacetate In methanol for 1h; Ambient temperature; | 98% |
With DMBI In tetrahydrofuran for 1h; Heating; | 94% |
Conditions | Yield |
---|---|
With montmorillonite K-10 In chloroform at 20℃; for 0.3h; | 99% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 25℃; for 24h; | 98% |
acetic anhydride
benzyl alcohol
A
Benzyl acetate
B
dimethylglyoxal
Conditions | Yield |
---|---|
With cobalt(II) chloride In acetonitrile at 25℃; for 4h; | A 98% B n/a |
Conditions | Yield |
---|---|
at 20℃; for 0.133333h; | 98% |
With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 2.5h; | 96% |
With alumina supported P2O5 at 20℃; for 0.75h; neat (no solvent); | 92% |
Sulfate; titanium(IV) oxide at 20℃; for 0.133333h; | 89% |
With montmorillonite K-10 for 0.25h; Acetylation; desilylation; | 88% |
Conditions | Yield |
---|---|
bismuth(lll) trifluoromethanesulfonate for 0.75h; Heating; | 98% |
K5 for 2h; Heating; | 95 % Chromat. |
Acetyl bromide
benzyl cinnamyl ether
A
Benzyl acetate
B
Cinnamyl bromide
Conditions | Yield |
---|---|
With lithium bromide In dichloromethane at 30 - 35℃; for 6h; Inert atmosphere; | A 98% B n/a |
2-bromobenzyl acetate
Benzyl acetate
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide In tetrahydrofuran for 2h; Ambient temperature; Yields of byproduct given; | 97% |
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 90℃; for 48h; |
Conditions | Yield |
---|---|
With 1H-imidazole; zinc In 1,2-dimethoxyethane at 80℃; for 24h; | 97% |
With aluminum oxide; zinc In dichloromethane at 20℃; for 12h; Acetylation; Reductive acetylation; | 95% |
Conditions | Yield |
---|---|
With pyridine hydrogenfluoride at 20℃; for 2.5h; | 97% |
With iron(III) chloride; 1-butyl-3-methylimidazolium chloride at 20℃; for 0.5h; | 86% |
With boron trifluoride diethyl etherate; sodium iodide In acetonitrile at 0℃; for 1.5h; | 70% |
copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 2.5h; | 63% |
Conditions | Yield |
---|---|
With aminosulfonic acid In acetic acid at 60℃; for 4h; | 96% |
FeCl3-Montmorillonite K-10 at 70℃; for 22h; | 94% |
sulfuric acid In water at 140℃; for 3h; Conversion of starting material; | 79% |
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 20℃; for 3h; | 96% |
Conditions | Yield |
---|---|
With lithium bromide In dichloromethane at 30 - 35℃; for 6h; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With 1,3-dimethylimidazolinium methanesulfonate at 90℃; for 0.5h; | 95% |
tetrabutyl phosphonium bromide at 150℃; under 20 Torr; g.l.p.t.c.; | 94% |
With polyethylene glycol 400 at 65 - 70℃; for 4.5h; | 94% |
Conditions | Yield |
---|---|
bismuth(lll) trifluoromethanesulfonate In acetonitrile for 0.5h; Heating; | 95% |
With indium(III) triflate In dichloromethane at 0 - 20℃; for 1.16667h; | 94% |
With indium(III) triflate In dichloromethane at 0 - 20℃; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With [Zn(BH4)2(nmi)] In diethyl ether at 20℃; for 1h; | 95% |
benzyl chloride
1-ethyl-3-methylimidazolium acetate
A
Benzyl acetate
B
1-ethyl-3-methyl-1H-imidazol-3-ium chloride
Conditions | Yield |
---|---|
at 20℃; for 2h; Inert atmosphere; | A 95% B n/a |
Conditions | Yield |
---|---|
Stage #1: Benzyl acetate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; | 100% |
With N-ethyl-N,N-diisopropylamine; magnesium iodide In dichloromethane for 20h; | 46% |
Benzyl acetate
tert-butyl (S)-N-tert-butoxycarbonylpyroglutamate
(S)-7-benzyl 1-tert-butyl 2-(tert-butoxycarbonyl)-5-oxoheptanedioate
Conditions | Yield |
---|---|
Stage #1: tert-butyl (S)-N-tert-butoxycarbonylpyroglutamate With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.583333h; Stage #2: Benzyl acetate In tetrahydrofuran at -78 - 0℃; for 3.33333h; | 100% |
Conditions | Yield |
---|---|
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Inert atmosphere; | 100% |
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Inert atmosphere; Glovebox; Cooling; | 61 %Spectr. |
Conditions | Yield |
---|---|
With hydrogen In n-heptane at 160℃; under 750.075 Torr; for 6h; Catalytic behavior; | A 96 %Chromat. B 100% |
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at 0 - 25℃; Inert atmosphere; stereoselective reaction; | 99% |
With iodine; magnesium; mercury dichloride Reagens 4: Xylol; |
Conditions | Yield |
---|---|
With perchloric acid for 96h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With [Ru(2-(methylthio)-N-[(pyridin-2-yl)methyl]ethan-1-amine)(triphenylphosphine)Cl2]; potassium tert-butylate; hydrogen In toluene at 80℃; under 30003 Torr; for 3h; | 99% |
With methanol; sodium methylate at 60℃; Reagent/catalyst; | 99% |
With Ximenia american In water at 30℃; for 72h; pH=5; Enzymatic reaction; | 98% |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide 1.) 0 deg C, 1 h, 2.) 25 deg C, 24 h; | 99% |
Conditions | Yield |
---|---|
With methanol; potassium permanganate In ethyl acetate at 25℃; for 18h; | 99% |
With lithium perchlorate In methanol at 0℃; Inert atmosphere; Sealed tube; Electrochemical reaction; Cooling with ice; | 80% |
Multi-step reaction with 2 steps 1: 180 °C 2: 150 °C View Scheme | |
Multi-step reaction with 2 steps 1: lipase B from Candida antarctica immobilized on Immobead 150 / aq. phosphate buffer / 0.33 h / 40 °C / pH 7.4 2: 9-azabicyclo<3.3.1>nonane-N-oxyl; copper(I) bromide; 1-methyl-1H-imidazole / water / 2 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: Candida antarctica lipase B; water / 30 °C / pH 6 / Enzymatic reaction 2: thermophilic alcohol dehydrogenase; NAD; butan-1-ol / 30 °C / pH 8 / Enzymatic reaction View Scheme |
Benzyl acetate
phenethylamine
A
N-benzyl-2-phenylethylamine
B
methyl-N-(benzyl-methyl)-formamide
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate In neat (no solvent) at 115℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; Glovebox; Green chemistry; | A 69% B 99% |
Benzyl acetate
3-Phenylpropan-1-amine
A
N-acetyl-3-phenylpropylamine
B
benzyl-(3-phenyl-propyl)-amine
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate In neat (no solvent) at 115℃; for 24h; Inert atmosphere; Glovebox; Green chemistry; | A 99% B 66% |
Benzyl acetate
2-(3-Fluorophenyl)ethylamine
A
N-(3-fluorophenylethyl)benzylamine
B
N-<2-(3-fluorophenyl)ethyl>acetamide
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate In neat (no solvent) at 115℃; for 24h; Inert atmosphere; Glovebox; Green chemistry; | A 66% B 99% |
Benzyl acetate
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
2-(benzyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Conditions | Yield |
---|---|
With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox; | 99% |
IUPAC Name: Benzyl acetate
Empirical Formula: C9H10O2
Molecular Weight: 150.1745
Canonical SMILES: CC(=O)OCC1=CC=CC=C1
InChI: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N
EINECS: 205-399-7
Product Categories: FINE Chemical & INTERMEDIATES
Water Solubility: <0.1 g/100 mL at 23 ºC
Index of Refraction: 1.505
Molar Refractivity: 42.2 cm3
Molar Volume: 142.2 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.055 g/cm3
Flash Point: 102.2 °C
Enthalpy of Vaporization: 44.98 kJ/mol
Boiling Point: 213.5 °C at 760 mmHg
Vapour Pressure: 0.164 mmHg at 25°C
Appearance: Colorless liquid with an odor of pears.
Melting Point: -51 °C(lit.)
Classification Code of Benzyl acetate (CAS NO.140-11-4): Human Data; Mutation data; Skin / Eye Irritant; Tumor data
Benzyl acetate (CAS NO.140-11-4) is used widely in perfumery and cosmetics for its aroma and in flavorings to impart apple and pear flavors. Benzyl acetate is commonly used as bait to attract and collect these bees for study. It is also used as a solvent in plastics and resin, cellulose acetate, nitrate, lacquers, oils, polishes and inks.
Benzyl acetate (CAS NO.140-11-4) is prepared by esterification of benzyl alcohol, by heating with either an excess of acetic anhydride or acetic acid with mineral acids.
C6H5CH2OH + CH3CO2H → C6H5CH2OCOCH3
The product is purified by treatment with boric acid and distilled to a purityIn excess of 98%.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LC50 | inhalation | 245ppm/8H (245ppm) | AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. | |
cat | LDLo | skin | 10gm/kg (10000mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. |
guinea pig | LD50 | oral | 2200mg/kg (2200mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985. | |
guinea pig | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
human | TCLo | inhalation | 50ppm (50ppm) | BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961. |
mouse | LCLo | inhalation | 1300mg/m3/22H (1300mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
mouse | LD50 | oral | 830mg/kg (830mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985. | |
rabbit | LD50 | oral | 2200mg/kg (2200mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 875, 1973. | |
rabbit | LDLo | subcutaneous | 4gm/kg (4000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
rat | LD50 | oral | 2490mg/kg (2490mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 1
RTECS: AF5075000
Benzyl acetate (CAS NO.140-11-4), its Synonyms are Acetic acid, benzyl ester ; Acetic acid, phenylmethyl ester ; Benzyl ethanoate ; Benzylester kyseliny octove ; Phenylmethyl acetate ; Phenylmethyl ethanoate ; alpha-Acetoxytoluene .
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