Conditions | Yield |
---|---|
phosphotungstic acid at 65 - 70℃; | 100% |
With 4-cyclopentyl-2,2,6,6-tetramethyl-[1,4,2,6]oxazadisilinan-4-ium tetrafluroborate for 0.333333h; Microwave irradiation; | 99% |
With iodine In toluene for 6h; Ionic liquid; Reflux; | 92% |
Conditions | Yield |
---|---|
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Temperature; Inert atmosphere; | 100% |
K2CO3 + 5percent Carbowax 6000 at 170℃; Product distribution; various catalysts, various amounts of catalysts; | 54 % Chromat. |
With trans-5,15-bis(2-hydroxy-1-naphthyl)octaethylporphyrine; silver perchlorate In benzene at 50℃; without AgClO4, other catalysts; |
3-O-acetyl-1,2,5,6-di-isopropylidene-α-D-glucofuranose
A
1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose
B
acetic acid methyl ester
Conditions | Yield |
---|---|
With n-butylstannoic acid In methanol at 65.4℃; for 2h; | A 100% B n/a |
methanol
acetic acid tert-butyl ester
A
acetic acid methyl ester
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
methanol
Isopropyl acetate
A
acetic acid methyl ester
B
isopropyl alcohol
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
methanol
prednisolone 21-acetate
A
prednisolon
B
acetic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A n/a B 100% |
Conditions | Yield |
---|---|
With C16H25N3O2S In methanol at 23℃; for 24h; | 99% |
Conditions | Yield |
---|---|
for 10h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry; | 98% |
Acetyl bromide
methoxytriphenylmethane
A
acetic acid methyl ester
B
bromo-triphenyl-methane
Conditions | Yield |
---|---|
at 70℃; for 13h; | A 81% B 97% |
at 70℃; for 13h; | A 0.65 g B 3.39 g |
Conditions | Yield |
---|---|
at 140℃; distillation throuh a vigreux column; | 95% |
4-methylbenzenesulfenic acid methyl ester
cyclohexene
A
acetic acid methyl ester
B
p-Tolylchlorcyclohexensulfid
Conditions | Yield |
---|---|
With acetyl chloride at 0℃; | A n/a B 95% |
methanol
sodium acetate
A
ethane
B
acetic acid methyl ester
C
acetic acid
Conditions | Yield |
---|---|
In methanol byproducts: C2H4, CO2; Electrolysis; electrolysis of 3 % soln. of NaCH3CO2 in methanol using polished Pt sheet as anode, no formation of O, HCO2H or CH2O, yield of C2H6 does not depend on temperature;; | A 95% B n/a C n/a |
In methanol byproducts: C2H4, CO2; Electrolysis; electrolysis of 3 % soln. of NaCH3CO2 in methanol using polished Pt sheet as anode, no formation of O, HCO2H or CH2O, yield of C2H6 does not depend on temperature;; | A 95% B n/a C n/a |
3,4-dihydronaphthalen-1-yl acetate
tributyltin methoxide
A
acetic acid methyl ester
Conditions | Yield |
---|---|
at 20℃; for 12h; Inert atmosphere; | A n/a B 95% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; tin(ll) chloride In tetrahydrofuran for 2h; Heating; | 94% |
With sodium hydrogensulfide; tin(ll) chloride In tetrahydrofuran; water for 2h; other sulfur and aromatic compounds as hydro-dehalogenation agents; Yield given; |
Conditions | Yield |
---|---|
With zinc(II) oxide at 20℃; for 0.166667h; | 94% |
With 1,4-diaza-bicyclo[2.2.2]octane for 0.0333333h; | 92% |
In acetonitrile at 0 - 25℃; Kinetics; Mechanism; also in the presence of NEt4Cl; |
O-methyl selenoacetate
acetic acid methyl ester
Conditions | Yield |
---|---|
With oxygen; methyl iodide; triethylphosphine In benzene at 50℃; for 5h; | 93% |
With oxygen; methyl iodide; triethylphosphine In benzene at 50℃; for 5h; Mechanism; other O-alkyl selenoesters; the other products in the anaerobic conditions; | 93% |
2-(1-ethoxy-ethylidene)-indan-1,3-dione
A
acetic acid methyl ester
B
Phthalonsaeure-anhydrid
Conditions | Yield |
---|---|
With ozone In dichloromethane at -70℃; | A n/a B 92% |
Isopropenyl acetate
2-methylphenyl bromide
A
acetic acid methyl ester
B
1-(2-methylphenyl)acetone
Conditions | Yield |
---|---|
dichlorobis(tri-O-tolylphosphine)palladium In toluene at 100℃; for 5h; | A n/a B 91% |
trans-MeOIr(CO)(PPh3)2
A
HIrCl2(CO)(PPh3)2
B
CH3C(O)IrCl2(CO){P(C6H5)3}2
C
acetic acid methyl ester
Conditions | Yield |
---|---|
With acetyl chloride In benzene soln. placed in a pressure tube fitted with a Teflon stopcock, degassed (vac.), acetyl chloride distilled onto the soln., stirred (1 h); solvent removed by vac. distillation; relation of yield to by-product yield depending on the purity of CH3COCl used and on the care of work up; | A n/a B n/a C 91% |
(acetoxymethyl)dimethylmethoxysilane
A
acetic acid methyl ester
B
2,2,5,5-tetramethyl-1,4-dioxa-2,5-disilacyclohexane
Conditions | Yield |
---|---|
With dioctyltin(IV) oxide at 120℃; under 52.5053 Torr; for 3h; Concentration; Reagent/catalyst; Inert atmosphere; | A 17.9 g B 91% |
acetic acid methyl ester
acetic acid methyl ester; deprotonated form
Conditions | Yield |
---|---|
With helium; methoxide-d3 anion at 24.85℃; under 0.5 Torr; Kinetics; proton transfer; flowing afterglow; | 100% |
With trifluoromethanide In gas Rate constant; Thermodynamic data; ΔH0, nucleophilic reactions of F3C- at sp2 and sp3 carbon in the gas phase, competitive reactions; | |
With fluoride In gas production of ionic species in an ion cyclotron spectrometer for laser photodissociation studies; |
acetic acid methyl ester
acrolein
3-hydroxypent-4-enoic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran at -78℃; Stage #2: acrolein In tetrahydrofuran for 0.0833333h; | 100% |
With lithium diisopropyl amide 1.) THF, -95 deg C, 3 min, 2. ) THF, -95 deg C; Multistep reaction; | |
With lithium diisopropyl amide 1.) THF, hexanes, -78 deg C, 50 min, 2.) THF, hexanes, -78 deg C, 5 min; Yield given. Multistep reaction; | |
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; Inert atmosphere; Stage #2: acrolein In tetrahydrofuran; hexane for 0.0833333h; Inert atmosphere; |
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% |
trans-dichloro(ethylene)(2,4,6-trimethylpyridine)platinum
acetic acid methyl ester
trans-dichloro(methyl acetate)(2,4,6-trimethylpyridine)platinum(II)
Conditions | Yield |
---|---|
In acetic acid methyl ester byproducts: ethylene; Irradiation (UV/VIS); | 100% |
In acetic acid methyl ester Irradiation (UV/VIS); the Pt-complex dissolved in methyl acetate was introduced into a muffshaped Schlenk tube surrounding a 125-W medium-pressure mercury lamp, Philips HPK 125, irradn. for 15 min at room temp., λ<310 nm was eliminated by Pyrex filter; the solvent was removed under reduced pressure at -30°C, the solid was recrystd. at -30°C in pentane-CH2Cl2; | 85% |
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran at -78℃; Stage #2: C39H52O5Si In tetrahydrofuran at -78℃; | 100% |
acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 0℃; Inert atmosphere; Stage #2: (4R,5R,6R)-7-(tert-butyl-dimethyl-silanyloxy)-5-(4-methoxy-benzyloxy)-4,6-dimethylhept-2-ynoic acid ethyl ester In tetrahydrofuran; hexane at -78 - 20℃; for 18h; Inert atmosphere; | 100% |
acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 0℃; Inert atmosphere; Stage #2: (4R,5R,6R)-7-benzyloxy-5-(4-methoxy-benzyloxy)-4,6-dimethyl-hept-2-ynoic acid ethylester In tetrahydrofuran; Hexachlorobutadiene at -78 - 20℃; for 18h; Inert atmosphere; | 100% |
acetic acid methyl ester
(S)-(thiazol-2-ylmethilidene)-p-toluenesulfinamide
Conditions | Yield |
---|---|
With sodium hexamethyldisilazane In tetrahydrofuran at -78℃; diastereoselective reaction; | 100% |
acetic acid methyl ester
propan-1-ol-3-amine
N-(3-hydroxypropyl)acetamide
Conditions | Yield |
---|---|
for 12h; Heating; | 99% |
In toluene for 120h; Heating / reflux; | 93% |
With Merrifield resin-supported N3=P(MeNCH2CH2)3N In tetrahydrofuran at 23 - 25℃; Inert atmosphere; | 74% |
Conditions | Yield |
---|---|
With N,N'-Mes2imidazol-2-ylidene In tetrahydrofuran at 23℃; for 24h; | 99% |
With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In acetonitrile at 20℃; for 15h; Schlenk technique; Inert atmosphere; | 97% |
With Merrifield resin-supported N3=P(MeNCH2CH2)3N In tetrahydrofuran at 23 - 25℃; Inert atmosphere; | 66% |
for 6h; Acylation; Heating; |
acetic acid methyl ester
A
acetic acid methyl ester; deprotonated form
B
acetamide anion
Conditions | Yield |
---|---|
With helium; amide at 24.85℃; under 0.5 Torr; Kinetics; Substitution; proton transfer; flowing afterglow; | A 99% B 1% |
acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.25h; Inert atmosphere; Stage #2: (2R,5S,6S,7S)-9-bromo-5-(tert-butyldimethylsilanoxy)-6,7-epoxy-2-methyl-3-methylene-dec-9-enal In tetrahydrofuran; hexane at -78℃; for 0.333333h; Inert atmosphere; | 99% |
acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.25h; Metallation; Stage #2: (2R,5S,6S,7S)-9-bromo-5-(tert-butyldimethylsilanyloxy)-6,7-epoxy-2-methyl-3-methylene-dec-9-enal In tetrahydrofuran for 0.166667h; Addition; aldol reaction; Further stages.; | 99% |
acetic acid methyl ester
(-)-(1S,2R,3S,4aR,5S,8S,8aS)-1-(tert-butyl-diphenyl-silanyloxymethyl)-3,8-dimethyl-5-triisopropylsilanyloxy-decahydro-naphthalene-2-carbaldehyde
3-[(1S,2R,3S,4aR,5S,8S,8aS)-1-(tert-butyl-diphenyl-silanyloxymethyl)-3,8-dimethyl-5-triisopropylsilanyloxy-decahydro-naphthalen-2-yl]-3-hydroxy-propionic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 0℃; for 0.333333h; Inert atmosphere; Stage #2: (-)-(1S,2R,3S,4aR,5S,8S,8aS)-1-(tert-butyl-diphenyl-silanyloxymethyl)-3,8-dimethyl-5-triisopropylsilanyloxy-decahydro-naphthalene-2-carbaldehyde In tetrahydrofuran; hexane | 99% |
Stage #1: acetic acid methyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 0℃; Inert atmosphere; Stage #2: (-)-(1S,2R,3S,4aR,5S,8S,8aS)-1-(tert-butyl-diphenyl-silanyloxymethyl)-3,8-dimethyl-5-triisopropylsilanyloxy-decahydro-naphthalene-2-carbaldehyde In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; |
acetic acid methyl ester
ethyl 2-diazo-3-oxobutanoate
ethyl 2-diazo-3-hydroxy-3-methyl-4-(methoxycarbonyl)butanoate
Conditions | Yield |
---|---|
Stage #1: acetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: ethyl 2-diazo-3-oxobutanoate In tetrahydrofuran; hexane at -70℃; for 1.5h; Inert atmosphere; Stage #3: With acetic acid In tetrahydrofuran; hexane at -70 - 20℃; for 0.333333h; Inert atmosphere; | 99% |
Molecular Structure of Methyl acetate (CAS NO.79-20-9):
IUPAC Name: methyl acetate
Molecular formula: C3H6O2
Molar mass: 74.08 g/mol
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 26.3Å2
Index of Refraction: 1.353
Molar Refractivity: 17.72 cm
Molar Volume: 81.5 cm3
Surface Tension: 21.8 dyne/cm
Density: 0.908 g/cm3
Enthalpy of Vaporization: 30.32 kJ/mol
Boiling Point: 44 °C at 760 mmHg
Vapour Pressure: 368 mmHg at 25°C
Melting point: -98 °C
InChI
InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3
Smiles
C(OC)(C)=O
EINECS: 201-185-2
Storage temp: Flammables area
Water Solubility: 250 g/L (20 ºC)
Merck: 14,6008
BRN: 1736662
Stability: Stable. Extremely flammable - readily forms explosive mixtures with air. Note low flash point and wide explosion limits. Incompatible with strong oxidizing agents, strong bases, strong acids, nitrates. May be moisture sensitive
Classification Code: Human Data; Mutation data; Skin / Eye Irritant; TSCA Flag T [Subject to the Section 4 test rule under TSCA]
Methyl acetate (CAS NO.79-20-9) is used as a solvent in glues, paints, and nail polish removers, in chemical reactions, and for extractions.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LCLo | inhalation | 67gm/m3/1H (67000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
cat | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
guinea pig | LD50 | skin | > 20mL/kg (20mL/kg) | National Technical Information Service. Vol. OTS0556681, | |
guinea pig | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
human | TCLo | inhalation | 15000mg/m3 (15000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: COUGH LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
mammal (species unspecified) | LD50 | unreported | 214mg/kg (214mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(8), Pg. 107, 1968. | |
mouse | LCLo | inhalation | 34gm/m3/4H (34000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
rabbit | LD50 | intraduodenal | 3700mg/kg (3700mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979. | |
rabbit | LD50 | oral | 3705mg/kg (3705mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979. | |
rat | LCLo | inhalation | 32000ppm/4H (32000ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979. | |
rat | LDLo | subcutaneous | 8gm/kg (8000mg/kg) | Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 18, Pg. 45, 1943. |
Reported in EPA TSCA Inventory.
Moderately toxic by several routes. A human systemic irritant by inhalation. A moderate skin and eye irritant. Mutation data reported. Dangerous fire hazard when exposed to heat, flame, or oxidizers. Moderate explosion hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Hazard Codes of Methyl acetate (CAS NO.79-20-9): F,Xi
Risk Statements: 11-36-66-67
R11: Highly flammable.
R36: Irritating to eyes.
R66: Repeated exposure may cause skin dryness or cracking.
R67: Vapours may cause drowsiness and dizziness.
Safety Statements: 16-26-29-33
S16: Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S29: Do not empty into drains.
S33: Take precautionary measures against static discharges.
RIDADR: UN 1231 3/PG 2
WGK Germany: 1
RTECS: AI9100000
HazardClass: 3
PackingGroup: II
OSHA PEL: TWA 200 ppm; STEL 250 ppm
ACGIH TLV: TWA 200 ppm; STEL 250 ppm
DFG MAK: 200 ppm (610 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
For occupational chemical analysis use NIOSH: Methyl Acetate S42.
Methyl acetate (CAS NO.79-20-9), also known as methyl ethanoate or acetic acid methyl ester , is a clear, flammable liquid with a characteristic, not unpleasant smell.
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