CAS No.79-20-9,Methylacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79-20-9
Name:	Methylacetate
Article Data:	815

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

Synthetic route

: 67-56-1
methanol

: 64-19-7
acetic acid

: 79-20-9
acetic acid methyl ester

Conditions

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%

: 67-56-1
methanol

: 141-78-6
ethyl acetate

: 79-20-9
acetic acid methyl ester

Conditions

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

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

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A 100% B n/a

...Expand

: 67-56-1
methanol

: 108-21-4
Isopropyl acetate

A: 79-20-9
acetic acid methyl ester

B: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A 100% B n/a

...Expand

: 67-56-1
methanol

: 52-21-1
prednisolone 21-acetate

A: 50-24-8
prednisolon

B: 79-20-9
acetic acid methyl ester

Conditions

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A n/a B 100%

...Expand

: 102-76-1
triacetylglycerol

: 79-20-9
acetic acid methyl ester

Conditions

Conditions	Yield
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

Conditions	Yield
for 10h; Ambient temperature;	98%

: 67-64-1
acetone

: 616-38-6
carbonic acid dimethyl ester

: 79-20-9
acetic acid methyl ester

Conditions

Conditions	Yield
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

Conditions	Yield
at 70℃; for 13h;	A 81% B 97%
at 70℃; for 13h;	A 0.65 g B 3.39 g

...Expand

Raw Materials

756-79-6

110-83-8

96-34-4

1445-45-0

123-54-6

115-10-6

28715-70-0

39560-91-3

Downstream Products

102-76-1

613-90-1

71-41-0

693-98-1

2216-45-7

32583-40-7

74-83-9

40918-96-5

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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: 26.3Å²Index 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.