Butyl butyrate

Butyl butyrate
  • CAS No.:109-21-7
Other grades of this product :
Butyl butyrate Basic information
Description References
Product Name:Butyl butyrate
Synonyms:1-Butyl butyrate;N-BUTYL N-BUTYRATE;N-BUTYL BUTYRATE;N-BUTYRIC ACID N-BUTYL ESTER;BUTYL BUTYRATE 98+% FCC;BUTYL BUTYRATE 98+% NATURAL FCC;BUTYL BUTYRATE GC STANDARD;BUTYL BUTYRATE, NATURAL
CAS:109-21-7
MF:C8H16O2
MW:144.21
EINECS:203-656-8
Product Categories:C8 to C9;Carbonyl Compounds;Esters;A-BAlphabetic;Alpha Sort;B;BI - BZAnalytical Standards;Chemical Class;EstersAnalytical Standards;Solvents;Volatiles/ Semivolatiles;A-BFlavors and Fragrances;Alphabetical Listings;A-B;Certified Natural Products;Flavors and Fragrances
Mol File:109-21-7.mol
Butyl butyrate Chemical Properties
Melting point -92 °C
Boiling point 164-165 °C (lit.)
density 0.869 g/mL at 25 °C (lit.)
vapor pressure 1.32hPa at 20℃
refractive index n20/D 1.406(lit.)
FEMA 2186 | BUTYL BUTYRATE
Fp 121 °F
storage temp. Flammables area
solubility 0.50g/l
form Liquid
color Clear colorless to pale yellow
explosive limit1%(V)
Odor Threshold0.0048ppm
Water Solubility Soluble in water. (1 g/L).
Merck 14,1556
JECFA Number151
BRN 1747101
LogP2.16 at 20℃
CAS DataBase Reference109-21-7(CAS DataBase Reference)
NIST Chemistry ReferenceButyl butyrate(109-21-7)
EPA Substance Registry SystemButyl butyrate (109-21-7)
Safety Information
Risk Statements 10
Safety Statements 2-24/25
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS ES8120000
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29156000
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Butyl butyrate Usage And Synthesis
DescriptionButyl butyrate is a kind of ester formed through the condensation of butyric acid and n-butanol. It has a pleasant flavor, and thus being used in the flavor industry to generate a sweet fruity flavor of pineapple-like. It occurs naturally in many kinds of fruits including apple, banana, berries, pear, plum, and strawberry. It is also found in alcoholic beverages. However, it should be noted that it is a marine pollutant, posing a threat to the marine environment. It may also penetrate into soil, contaminating groundwater and other nearby waterways.
Referenceshttps://pubchem.ncbi.nlm.nih.gov/compound/Butyl_butyrate#section=Top https://en.wikipedia.org/wiki/Butyl_butyrate
Chemical PropertiesCLEAR COLORLESS TO PALE YELLOWISH LIQUID
Chemical PropertiesButyl Butyrate is a liquid with a sweet, fruity odor. It is a volatile constituent of many fruits and honey and is used in fruit flavor compositions.
Chemical PropertiesButyl butyrate has a fruity (pear–pineapple-like) odor.
OccurrenceReported found in fresh apple, apple juice, banana, orange juice, orange peel oil, melon, strawberry, Passiflora mollisima, soybean, honey and blue cheese.
UsesIt is very important for the food and beverages industries and used as perfuming agents. It is a applied as a solvent for resins.
UsesButyl butyrate can be used as a reactant to synthesize:
  • N
  • -(Phenylmethyl)butanamide by reacting with benzylamine via ester-amide exchange reaction in the presence of supported graphene oxide catalyst.
  • Cyclohexyl butyrate by acylation reaction with cyclohexanol using a ruthenium pincer PNN complex catalyst.
  • Butyl ether by triiron dodecacarbonyl catalyzed hydrosilylation reaction.
UsesFlavoring.
DefinitionChEBI: A butanoate ester of butan-1-ol.
PreparationBy passing vapors of n-butyl alcohol over MnO2 or ZnO at 400°C, also by passing vapors of n-butyl alcohol over CuO-VO at 180 to 200°C.
Aroma threshold valuesDetection: 87 to 1000 ppb
Taste threshold valuesTaste characteristics at 40 ppm: sweet, fresh, fruity, slightly fatty.
Synthesis Reference(s)Journal of the American Chemical Society, 69, p. 2605, 1947 DOI: 10.1021/ja01203a011Organic Syntheses, Coll. Vol. 1, p. 138, 1941Tetrahedron Letters, 22, p. 5327, 1981 DOI: 10.1016/S0040-4039(01)92493-1
General DescriptionA 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.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileButyl 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].
HazardIrritant and narcotic. Moderate fire risk.
Health HazardInhalation or ingestion causes headache, dizziness, nausea, vomiting, and narcosis. Contact with liquid irritates eyes.
Fire HazardSome may burn but none ignite readily. Containers may explode when heated. Some may be transported hot.
Flammability and ExplosibilityFlammable
Safety ProfileModerately toxic via intraperitoneal route. Mildly toxic by ingestion. Moderately irritating to eyes, sh, and mucous membranes by inhalation. Narcotic in hgh concentrations. Flammable liquid. To fight fire, use alcohol foam, foam, CO2, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.

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