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Your Location：Home>Product Center >> Acids Compound >> Methyl propionate
  • Methyl propionate
Name:Methyl propionate
CAS No:554-12-1

PRODUCT DESCRIPTION

【Name】
Methyl propionate
【Iupac name】
methyl propanoate
【CAS Registry number】
554-12-1
【Synonyms】
Propanoic acid methyl ester
Propionic acid methyl ester
【EINECS(EC#)】
209-060-4
【Molecular Formula】
C4H8O2 (Products with the same molecular formula)
【Molecular Weight】
88.11
【Inchi】
InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
【Canonical SMILES】
CCC(=O)OC
【MOL File】
554-12-1.mol

Chemical and Physical Properties

【Appearance】
colourless liquid
【Density】
0.915
【Melting Point】
-88℃
【Boiling Point】
78-79℃
【Vapour】
40 mm Hg ( 11 °C)
【Refractive Index】
1.377
【Flash Point】
-2℃
【Water】
5 g/100 mL at 20℃
【Solubilities】
5 g/100 mL at 20 oC
【Color/Form】
Colorless liq
【Stability】
Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, bases. Readily forms explosive mixtures with air. Moisture sensitive.
【Storage temp】
Flammables area
【Spectral properties】
SADTLER REF NUMBER: 5270 (IR, PRISM); 1884 (NMR)
Index of refraction: 1.3775 @ 20 deg C/D
【Computed Properties】
Molecular Weight:88.10512 [g/mol]
Molecular Formula:C4H8O2
XLogP3:0.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:88.05243
MonoIsotopic Mass:88.05243
Topological Polar Surface Area:26.3
Heavy Atom Count:6
Formal Charge:0
Complexity:49.5
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
F:Flammable;Xn:Harmful;
【Risk Statements】
R11;R20
【Safety Statements 】
S16;S24;S29;S33
【HazardClass】
3
【PackingGroup 】
II
【Skin, Eye, and Respiratory Irritations】
A skin irritant.
【Transport】
UN 1248
【Fire Fighting Procedures】
WATER MAY BE INEFFECTIVE.
To fight fire, use foam, carbon dioxide, dry chemical.
【Fire Potential】
Flammable, dangerous fire risk ...
A very dangerous fire hazard when exposed to heat, flame, or oxidizers.
【Formulations/Preparations】
Grade: Technical
【DOT Emergency Guidelines】
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane or nitroethane. Large fires: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Exposure Standards and Regulations】
Methyl propionate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Synthetic flavoring substances and adjuvants /incl methyl propionate/ may be safely used in foods.
【Protective Equipment and Clothing】
A skin irritant.
【Octanol/Water Partition Coefficient】
log Kow= 0.82
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

BY DIRECT ESTERIFICATION OF THE /PROPIONIC/ ACID WITH METHANOL IN THE PRESENCE OF CONCENTRATED SULFURIC ACID
U.S. Production

(1981) PROBABLY GREATER THAN 4.54X10+5 G
(1982) PROBABLY GREATER THAN 4.54X10+5 G
Consumption Patterns

USE IN FRAGRANCES IN THE USA AMOUNTS TO LESS THAN 1000 POUNDS PER YEAR.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
The rate constant for the vapor-phase reaction of methyl propionate with photochemically-produced hydroxyl radicals is 1.0X10-12 cu cm/molecule-sec at 25 deg C(1). This corresponds to an atmospheric half-life of about 24 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.108 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 2 yrs and 74 days at pH values of 7 and 8, respectively(SRC). The rate constant for the reaction between photochemically produced hydroxyl radicals in water and methyl propionate is 4.5X10+8 L/mole-sec(3); assuming that the concn of hydroxyl radicals in brightly sunlit natural water is 1X10-17 M(4), the half-life would be about 1780 days of continuous (24 hr/day) sunlight(SRC).

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