281964
Butyl butyrate
98%
Synonym(s):
1-Butyl butyrate, Butyl butanoate, Butyric acid n-butyl ester, n-Butyl butanoate, n-Butyl butyrate, n-Butyl n-butyrate
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About This Item
Linear Formula:
CH3CH2CH2COO(CH2)3CH3
CAS Number:
Molecular Weight:
144.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-656-8
Beilstein/REAXYS Number:
1747101
MDL number:
Assay:
98%
Form:
liquid
Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.406 (lit.)
bp
164-165 °C (lit.)
density
0.869 g/mL at 25 °C (lit.)
functional group
ester
SMILES string
CCCCOC(=O)CCC
InChI
1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChI key
XUPYJHCZDLZNFP-UHFFFAOYSA-N
General description
Butyl butyrate is an ester present in pineapple flavor and is very important for the food and beverages industries. Kinetcis of butyl butyrate synthesis by enzymatic esterification and trans-esterification in supercritical carbon dioxide with a lipase, Novozym 435 has been reported.
Application
Butyl 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.
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signalword
Warning
Storage Class
3 - Flammable liquids
flash_point_f
124.9 °F - closed cup
flash_point_c
51.6 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
hcodes
Hazard Classifications
Flam. Liq. 3
Regulatory Information
危险化学品
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Ruthenium Pincer-Catalyzed Acylation of Alcohols Using Esters with Liberation of Hydrogen under Neutral Conditions
Gnanaprakasam B, et al.
advanced synthesis and catalysis, 352(18), 3169-3173 (2010)
Ruthenium Pincer-Catalyzed Acylation of Alcohols Using Esters with Liberation of Hydrogen under Neutral Conditions
Gnanaprakasam B, et al.
Advanced Synthesis & Catalysis, 352(18), 3169-3173 (2010)
Unprecedented Ester-Amide Exchange Reaction Using Highly Versatile Two-Dimensional Graphene Oxide Supported Base Metal Nanocatalyst
Sharma RK, et al.
Industrial & Engineering Chemistry Research, 57(10), 3617-3627 (2018)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 281964-1L | 04061826225745 |
| 281964-250ML | 04061826225752 |