Butyl formate
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Butyl formate
structure -
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CAS No:
592-84-7
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Formula:
C5H10O2
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Chemical Name:
Butyl formate
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Synonyms:
Formic acid,butyl ester;Butyl formate;n-Butyl formate;Butyl methanoate;NSC 6969
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CAS No:
Description
CLEAR COLORLESS TO YELLOWISH LIQUID Butyl formate has a fruity, plum-like odor and corresponding taste.
N-butyl formate appears as a clear colorless liquid. Flash point 64°F. Less dense than water. Vapors heavier than air.|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless to pale yellow liquid with a fruity, plum-like odour
N-butyl formate appears as a clear colorless liquid. Flash point 64°F. Less dense than water. Vapors heavier than air.|Butyl formate is a formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Found in apples, strawberries, sherry and Pamesan cheese, it has a fruity, plum-like odour and taste. It has a role as a polar aprotic solvent, a flavouring agent and a fragrance. It derives from a butan-1-ol.
Butyl formate Basic Attributes
102.13
102.13
1742108
209-772-5
0Y9MZ7VM9P
0402
6969
1128
DTXSID2060468
29151300
Characteristics
26.3
1.32
Clear colorless to yellow Liquid
0.9 g/cm3
-90 °C
107 °C
57 °F
1.389
Solubility in water, g/100ml at 27°C: 0.75 (poor)
Flammables area
Vapour pressure, kPa at 20°C: 2.9
Relative vapour density (air = 1): 3.5
Oral-Rabbit LD50: 2656 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
1.7-8.2%(V)
3.12e-12 cm3/molecule*sec
Highly flammable. Slightly soluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Highly Flammable
N-BUTYL FORMATE 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. Can generate electrostatic charges [Handling Chemicals Safely 1980. p. 247].
612 °F (USCG, 1999)|265 °C
The vapour mixes well with air, explosive mixtures are easily formed. As a result of flow, agitation, etc., electrostatic charges can be generated.
Safety Information
II
3
UN 1128 3/PG 2
1
11-36/37
9-16-24-33
LQ5500000
F,Xi
Treasury is ventilated, low temperature and dry; stored separately from oxidant
Explosive when mixed with air
P210-P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313-P403 + P235
H225-H319-H335
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. Behavior in Fire: Vapors can flow along surfaces to distant ignition source and flash back. (USCG, 1999)|Highly flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting. Risk of fire and explosion on contact with strong oxidants.|Flammable - 3rd degree
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1597 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842). LARGE FIRE: 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. (ERG, 2016)|Use powder, alcohol-resistant foam, water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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)
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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 SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Explosive limits , vol% in air: 1.6-8
Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Fireproof. Separated from strong oxidants.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The vapour is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.
The substance defats the skin, which may cause dryness or cracking.
NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. Prevent build-up of electrostatic charges (e.g., by grounding).
Use ventilation, local exhaust or breathing protection.
Protective gloves.
Wear safety goggles.
Drug Information
Exposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect. (USCG, 1999)
Get medical attention. INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush with water for at least 15 min., lifting lids occasionally. SKIN: Remove contaminated clothing and shoes. Wash with soap and water. (USCG, 1999)
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
The substance can be absorbed into the body by inhalation and by ingestion.
Cough. Shortness of breath. Headache. Drowsiness.
Redness.
Redness. Pain.
Butyl formate Use and Manufacturing
It is obtained by azeotropic distillation of formic acid, n-butanol and isopropyl formate.
Used as standard substance and solvent for chromatographic analysis, also used in perfume manufacturing and organic synthesis
Formic acid, butyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Flammable - 3rd degree
Flavoring Agents
Computed Properties
Molecular Weight:102.13
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:102.068079557
Monoisotopic Mass:102.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:43.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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