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79-20-9

Basic Information
CAS No.: 79-20-9
Name: Methyl acetate
Article Data: 815
Cas Database
Molecular Structure:
Molecular Structure of 79-20-9 (Methyl acetate)
Formula: C3H6O2
Molecular Weight: 74.0794
Synonyms: Devoton;Methyl ester acetic acid;Methyl ethanoate;NSC 405071;Tereton;
EINECS: 201-185-2
Density: 0.908 g/cm3
Melting Point: -98 °C
Boiling Point: 44 °C at 760 mmHg
Flash Point: 3.2°F
Solubility: water: 250 g/L (20 °C)
Appearance: colourless liquid
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36-66-67
Safety: 16-26-29-33
Transport Information: UN 1231 3/PG 2
PSA: 26.30000
LogP: 0.17930
Synthetic route
67-56-1

methanol

64-19-7

acetic acid

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
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%
67-56-1

methanol

141-78-6

ethyl acetate

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
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;
29586-98-9

3-O-acetyl-1,2,5,6-di-isopropylidene-α-D-glucofuranose

B

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
With n-butylstannoic acid In methanol at 65.4℃; for 2h;A 100%
B n/a
67-56-1

methanol

540-88-5

acetic acid tert-butyl ester

A

79-20-9

acetic acid methyl ester

B

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
67-56-1

methanol

108-21-4

Isopropyl acetate

A

79-20-9

acetic acid methyl ester

B

67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
67-56-1

methanol

52-21-1

prednisolone 21-acetate

A

50-24-8

prednisolon

B

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A n/a
B 100%
102-76-1

triacetylglycerol

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
With C16H25N3O2S In methanol at 23℃; for 24h;99%
67-56-1

methanol

60759-49-1

N-acetyl-1,3-oxazol-2-one

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
for 10h; Ambient temperature;98%
67-64-1

acetone

616-38-6

carbonic acid dimethyl ester

79-20-9

acetic acid methyl ester

Conditions
ConditionsYield
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry;98%
506-96-7

Acetyl bromide

596-31-6

methoxytriphenylmethane

A

79-20-9

acetic acid methyl ester

B

596-43-0

bromo-triphenyl-methane

Conditions
ConditionsYield
at 70℃; for 13h;A 81%
B 97%
at 70℃; for 13h;A 0.65 g
B 3.39 g
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    Product Name: Methyl acetate Synonyms: Acetic acid methyl ester CAS RN.: 79-20-9 EINECS: 201-185-2 Molecular Weight:

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Chemistry

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]

Uses

 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.

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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): FlammableF,IrritantXi
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

Standards and Recommendations

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

Analytical Methods

For occupational chemical analysis use NIOSH: Methyl Acetate S42.

Specification

  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.