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| CAS No.: | 79-20-9 |
|---|---|
| Name: | Methylacetate |
| Article Data: | 815 |
| Molecular Structure: | |
|
|
|
| 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: |
 F, Xi
|
| Risk Codes: | 11-36-66-67 |
| Safety: | 16-26-29-33 |
| Transport Information: | UN 1231 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.17930 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
| 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; |
- 29586-98-9
3-O-acetyl-1,2,5,6-di-isopropylidene-α-D-glucofuranose
A
- 582-52-5, 2595-05-3, 10368-86-2, 13100-30-6, 14686-89-6, 23262-79-5, 26597-74-0, 26623-15-4, 38166-58-4, 38166-60-8, 79943-22-9, 83730-28-3
1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose
B
- 79-20-9
acetic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
| Conditions | Yield |
|---|---|
| With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
| 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% |
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- Total:34 Page 1 of 1 1
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Chemistry
Molecular Structure of Methyl acetate (CAS NO.79-20-9):
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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): 
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
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.