Methyl pentanoate
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Methyl pentanoate
structure -
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CAS No:
624-24-8
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Formula:
C6H12O2
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Chemical Name:
Methyl pentanoate
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Synonyms:
Pentanoic acid,methyl ester;Valeric acid,methyl ester;Methyl valerate;Methyl n-valerate;Methyl valerianate;Methyl pentanoate;4-Methylbutanoic acid methyl ester
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CAS No:
Description
Methyl valerate has a pungent, green-fruity odor that is apple- and pineapple-like with a corresponding flavor at 1 0 - 5 0 ppm. May be prepared by direct esterification of the valeric acid with methanol in the presence of concentrated H2S04; note: this ester hydrolyzes readily. Methyl valerate has a pungent, green-fruity odor, apple and pineapple-like. It has a similar flavor at 10 to 50 ppm clear colorless liquid
Methyl pentanoate Basic Attributes
116.16
116.16
1741905
210-838-0
ZW21JJJ9VN
3272
DTXSID9060784
2915600000
Characteristics
26.30000
1.34960
Clear colorless Liquid
0.8847999999999999 g/cm3 @ Temp: 25.00 °C
-91°C
127.4 °C
72 °F
n20/D 1.397(lit.)
5.06 mg/mL at 25 °C
Flammables area
63 mm Hg at 124° F ; 262 mm Hg at 167° F; 320 mm Hg at 199° F (NTP, 1992)
Inhalation-Mouse LC50: 6600 mg/m3/ 2 hours
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
3.18e-04 atm-m3/mole
Highly flammable. Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Highly Flammable
METHYL VALERATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound reacts with oxidizing agents, bases and acids. (NTP, 1992)
Safety Information
II
3
UN 3272 3/PG 2
2
10-20-2017/10/20
16-7/9-2007/9/16
YV7750500
Xn
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
P210-P261-P311
H225-H331
This chemical is flammable. (NTP, 1992)
|Danger|H225 (99.06%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1595 companies from 9 notifications to the ECHA C&L Inventory.
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. 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. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical in an explosion-proof refrigerator and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
SYMPTOMS: Symptoms of exposure to this compound include skin irritation, conjunctivitis, nausea, vomiting, headache, dizziness, cyanosis, dermatitis, collapse, respiratory distress, convulsions, blistering and ulceration of the skin; gangrene, erythema, vertigo, kidney and liver damage; coma and lowered body temperature. ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of carbon dioxide and carbon monoxide. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Methyl pentanoate Use and Manufacturing
Methyl valerate, a methyl ester of valerate, has a fruity odor. The substance is commonly used in perfumes, beauty treatments, soaps, and laundry powders, with a content of 0.1-1%. It is used in a very pure form (greater than 99.5%) as a plasticizer in plastic manufacturing. It can also be used as an insecticide. Like most volatile esters, it has a pleasant aroma and taste and can be used as a food additive to add fruit flavor, especially apple flavor. It can be used in the preparation of lankacidin C 8-valerate, or as a reactant to synthesize bis(2,2,2-trifluoroethyl) 2-oxoalkylphosphonates, or as a reactant to synthesize bis(2,2,2-trifluoroethyl) 2-oxoalkylphosphonates, also as a substrate in the fluorination reactions of unactivated C(sp3)H bonds using decatungstate photocatalyst and N-fluorobenzenesulfonimide.
< 25,000 lb
Pentanoic acid, methyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:116.16
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:68.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Methyl pentanoate
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