γ-Valerolactone
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γ-Valerolactone
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CAS No:
108-29-2
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Formula:
C5H8O2
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Chemical Name:
γ-Valerolactone
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Synonyms:
2(3H)-Furanone,dihydro-5-methyl-;Valeric acid,4-hydroxy-,γ-lactone;Valeric acid,γ-hydroxy-,lactone;Dihydro-5-methyl-2(3H)-furanone;4-Hydroxypentanoic acid lactone;Pentanoic acid,4-hydroxy-,γ-lactone;γ-Valerolactone;γ-Methyl-γ-butyrolactone;γ-Pentalactone;4-Methyl-γ-butyrolactone;γ-Methylbutyrolactone;4-Hydroxyvaleric acid lactone;4-Pentanolide;4-Methylbutyrolactone;Tetrahydro-5-methyl-2-furanone;Dihydro-5-methyl-2-furanone;5-Methyltetrahydro-2-furanone;4-Hydroxypentanoic acid γ-lactone;5-Methyldihydro-2(3H)-furanone;(±)-γ-Valerolactone;(±)-4-Methylbutyrolactone;(RS)-γ-Pentalactone;(±)-γ-Pentalactone;(±)-γ-Methylbutyrolactone;NSC 33700;γ-VL;Pentano-4-lactone;Dihydro-5-methylfuranone;57129-69-8
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CAS No:
Description
Liquid
Gamma-valerolactone is a clear, colorless, mobile liquid. pH (anhydrous): 7.0. pH (10% solution in distilled water): 4.2. (NTP, 1992)|Liquid|colourless to slightly yellow liquid with a warm, sweet, herbaceous odour
Gamma-valerolactone is a clear, colorless, mobile liquid. pH (anhydrous): 7.0. pH (10% solution in distilled water): 4.2. (NTP, 1992)|Gamma-valerolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. It has a role as a flavouring agent and a human xenobiotic metabolite.
Characteristics
26.30000
0.6
Gamma-valerolactone is a clear, colorless, mobile liquid. pH (anhydrous): 7.0. pH (10% solution in distilled water): 4.2. (NTP, 1992)
1.05474 g/cm3 @ Temp: 20 °C
-31 °C
85 °C @ Press: 10 Torr
96ºC
1.432-1.434
Micible with water.
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
0.235mmHg at 25°C
3.45 (NTP, 1992) (Relative to Air)
Water soluble.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
GAMMA-VALEROLACTONE 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 chemical is incompatible with strong oxidizers. (NTP, 1992). This chemical is incompatible with strong oxidizing agents. It is also incompatible with strong acids, strong bases and strong reducing agents. (NTP, 1992).
Safety Information
I; II; III
NONH for all modes of transport
2
R36
S26-S39
LU3580000
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P264, P280, P305+P351+P338, P33, P313
H319
This chemical is combustible. (NTP, 1992)
Not Classified
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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 should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 at ambient temperatures, and keep it away from oxidizing materials. (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 may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. It is an irritant of the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits acrid smoke and fumes of carbon monoxide and carbon dioxide. (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)
4-valerolactone
γ-Valerolactone Use and Manufacturing
Used in the perfume and flavor industries.
2(3H)-Furanone, dihydro-5-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Flavoring Agents
Computed Properties
Molecular Weight:100.12
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:88.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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