| Identification | More | [Name]
Butyl butyrate | [CAS]
109-21-7 | [Synonyms]
BUTYL BUTANOATE
BUTYL BUTYRATE
BUTYRIC ACID BUTYL ESTER
BUTYRIC ACID N-BUTYL ESTER
FEMA 2168
FEMA 2186
N-BUTYL BUTYRATE
N-BUTYL N-BUTYRATE
N-BUTYRIC ACID N-BUTYL ESTER
1-Butyl butyrate
1-butylbutyrate
Butanoic acid, butyl ester
Butanoicacid,butylester
Butanoicacidbutylester
Butyl butylate
Butyl ester of butanoic acid
Butyl n-butyrate
n-Butyl butanoate
n-Butyl n-butanoate
BUTYL BUTYRATE 98+% FCC | [EINECS(EC#)]
203-656-8 | [Molecular Formula]
C8H16O2 | [MDL Number]
MFCD00009450 | [Molecular Weight]
144.21 | [MOL File]
109-21-7.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLORLESS TO PALE YELLOWISH LIQUID | [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℃ | [FEMA ]
2186 | [refractive index ]
n20/D 1.406(lit.)
| [Fp ]
121 °F
| [storage temp. ]
Flammables area | [solubility ]
0.50g/l | [form ]
Liquid | [color ]
Clear colorless to pale yellow | [Odor]
at 100.00 %. fruity banana pineapple green cherry tropical fruit ripe fruit juicy fruit | [biological source]
synthetic | [explosive limit]
1%(V) | [Odor Threshold]
0.0048ppm | [Odor Type]
fruity | [Water Solubility ]
Soluble in water. (1 g/L). | [JECFA Number]
151 | [Merck ]
14,1556 | [BRN ]
1747101 | [Henry's Law Constant]
1.7×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 | [InChIKey]
XUPYJHCZDLZNFP-UHFFFAOYSA-N | [SMILES]
CCCCOC(=O)CCC | [LogP]
2.16 at 20℃ | [Uses]
Flavoring. | [CAS DataBase Reference]
109-21-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Butyl butyrate(109-21-7) | [EPA Substance Registry System]
Butyl butyrate (109-21-7) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210 | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S2:Keep out of the reach of children . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
ES8120000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29156000 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Aquatic Chronic 2
Flam. Liq. 3 | [Safety Profile]
Moderately 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. | [Toxicity]
mouse,LD50,intraperitoneal,8900mg/kg (8900mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 521, 1979. |
| Hazard Information | Back Directory | [General Description]
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. | [Reactivity Profile]
BUTYL BUTYRATE(109-21-7) 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]. | [Air & Water Reactions]
Insoluble in water. | [Hazard]
Irritant and narcotic. Moderate fire risk.
| [Health Hazard]
Inhalation or ingestion causes headache, dizziness, nausea, vomiting, and narcosis. Contact with liquid irritates eyes. | [Fire Hazard]
Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. | [Chemical Properties]
Butyl butyrate has a fruity (pear–pineapple-like) odor. | [Chemical Properties]
Butyl 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 Properties]
CLEAR COLORLESS TO PALE YELLOWISH LIQUID | [Occurrence]
Reported found in fresh apple, apple juice, banana, orange juice, orange peel oil, melon, strawberry, Passiflora
mollisima, soybean, honey and blue cheese. | [Definition]
ChEBI: A butanoate ester of butan-1-ol. | [Preparation]
By 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 values]
Detection: 87 to 1000 ppb | [Taste threshold values]
Taste 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/ja01203a011
Organic Syntheses, Coll. Vol. 1, p. 138, 1941
Tetrahedron Letters, 22, p. 5327, 1981 DOI: 10.1016/S0040-4039(01)92493-1 | [Flammability and Explosibility]
Flammable |
| Questions And Answer | Back Directory | [Description]
Butyl 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.
| [Aroma]
Fresh and sweet-fruity, powerful and rather
diffusive odor, reminiscent of Banana (overripe) and Pineapple.
Sweet and rich, fruity taste, pleasant in
proper dilution.
Occasionally used in perfume compositions,
mainly for special fruity notes in lipstick perfumes, or for modifying notes in novelty
fragrances, where formerly Allyl caproate has
been used in certain fragrance types.
Extensively used in flavor compositions for
imitation Apple, Banana, Berry, Butler,
Liquor, Peach, Pear, Pineapple, Nut, Scotch
(whisky), Quince, etc. | [References]
https://pubchem.ncbi.nlm.nih.gov/compound/Butyl_butyrate#section=Top
https://en.wikipedia.org/wiki/Butyl_butyrate
|
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