Butyl butyrate
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Butyl butyrate
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CAS No:
109-21-7
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Formula:
C8H16O2
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Chemical Name:
Butyl butyrate
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Synonyms:
Butanoic acid,butyl ester;Butyric acid,butyl ester;Butyl butanoate;Butyl butyrate;n-Butyl butyrate;n-Butyl n-butyrate;1-Butyl butyrate;Butyl butylate;n-Butyl butanoate;NSC 8458;Butyric acid n-butyl ester
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CAS No:
Description
A colorless liquid.
Butyl butyrate appears as a colorless liquid. Insoluble in water. A marine pollutant. Poses a threat to the aquatic environment. Immediate steps should be taken to prevent spread to the environment. May penetrate soils and contaminate groundwater and nearby waterways. Mildly irritates the eyes and skin.|Liquid|colourless liquid with a fruity, pineapple-like odour on dilution|A colorless liquid.
Butyl butyrate appears as a colorless liquid. Insoluble in water. A marine pollutant. Poses a threat to the aquatic environment. Immediate steps should be taken to prevent spread to the environment. May penetrate soils and contaminate groundwater and nearby waterways. Mildly irritates the eyes and skin.|Butyl butanoate is a butanoate ester of butan-1-ol. It has a role as a metabolite. It derives from a butan-1-ol.
Characteristics
26.3
2.83
Clear colorless to pale yellow Liquid
0.8711 g/cm3 @ Temp: 20 °C
-91.5 °C
166 °C
121 °F
1.413
soluble in water. (1 g/L).
Flammables area
10.34 mmHg
Abdominal injection-rat LD50: 2300 mg/kg; Abdominal injection-mouse LD50: 8900 mg/kg
Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke
1%(V)
1.06e-11 cm3/molecule*sec
Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
BUTYL BUTYRATE reacts with acids to liberate heat along with butyl alcohol and butyric acid. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides. May attack some forms of plastics (USCG, 1999).
Safety Information
III
3
UN 3272 3/PG 3
2
10
2-24/25
ES8120000
Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, be aware of possible short circuiting as this product is transported in a charged state. (ERG, 2016)
|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 1674 companies from 6 notifications to the ECHA C&L Inventory.
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not scatter spilled material with high-pressure water streams. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal. FIRE INVOLVING TANKS: 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. (ERG, 2016)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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)
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. Avoid inhalation of asbestos dust. SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area. SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2016)
All-purpose canister mask or chemical cartridge respirator; glass or face (USCG, 1999)
| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.
Drug Information
Inhalation or ingestion causes headache, dizziness, nausea, vomiting, and narcosis. Contact with liquid irritates eyes. (USCG, 1999)
INHALATION: Move victim to fresh air and call a physician; give artificial respiration if necessary. INGESTION: Induce vomiting and call a physician. EYES: Flush with water for at least 15 minutes. SKIN: Flush with water; wash with soap and water. (USCG, 1999)
butyl butyrate
Butyl butyrate Use and Manufacturing
It is made by heating n-butanol to 400℃ steam and passing through manganese dioxide or zinc oxide. It is obtained by passing through CuO-VO with n-butanol vapor at 180～200℃. It is refined by esterification of butyric acid and butanol under sulfuric acid catalysis.
Organic Synthesis. Spice preparation. Solvent. Used in organic synthesis, as a solvent and spices.
Air care products
< 25,000 lb
Butanoic acid, butyl 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:144.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:89.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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