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Merck
CN

W218626

Butyl butyrate

greener alternative

natural, ≥98%, FCC, FG

Synonym(s):

Butanoic acid butyl ester, Butyl butanoate, Butyric acid butyl ester

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About This Item

Linear Formula:
CH3CH2CH2COO(CH2)3CH3
CAS Number:
109-21-7
Molecular Weight:
144.21
FEMA Number:
2186
Council of Europe no.:
268c
UNSPSC Code:
12164502
PubChem Substance ID:
24900899
Flavis number:
9.042
EC Number:
203-656-8
NACRES:
NA.21
MDL number:
MFCD00009450
Beilstein/REAXYS Number:
1747101
Organoleptic:
green; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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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

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117

assay

≥98%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

Quality Level

300, 400

bp

164-165 °C (lit.)

density

0.869 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

green; fruity; sweet

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Related Categories

Application

  • Recruitment of Hippodamia variegata by active volatiles from Glycyrrhiza uralensis and Alhagi sparsifolia plants infested with Aphis atrata.: This research explores the role of butyl butyrate as a volatile compound in attracting predatory insects to plants infested with aphids. The study provides valuable insights into plant-insect interactions and the potential use of natural volatiles in integrated pest management (Jiang et al., 2024).

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

pictograms

Flame
GHS02

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2312
SHBR4664
SHBR8228
SHBP2346
SHBN5182

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Ana I S Brígida et al.
Applied biochemistry and biotechnology, 146(1-3), 173-187 (2008-04-19)
An agroindustrial residue, green coconut fiber, was evaluated as support for immobilization of Candida antarctica type B (CALB) lipase by physical adsorption. The influence of several parameters, such as contact time, amount of enzyme offered to immobilization, and pH of
Ana L Paiva et al.
Biotechnology progress, 19(3), 750-754 (2003-06-07)
This paper reports experimental work pertaining to alcoholysis between butanol and ethyl butanoate, catalyzed by an immobilized lipase in a liquid-vapor system where chemical reaction and physical separation are simultaneously carried out. The processing setup was tested for various compositions
Adriano A Mendes et al.
International journal of biological macromolecules, 50(3), 503-511 (2012-01-31)
Five microbial lipase preparations from several sources were immobilized by hydrophobic adsorption on small or large poly-hydroxybutyrate (PHB) beads and the effect of the support particle size on the biocatalyst activity was assessed in the hydrolysis of olive oil, esterification
F Borzeix et al.
Enzyme and microbial technology, 14(10), 791-797 (1992-10-01)
The kinetics of butyl butyrate synthesis by a lipase from Mucor miehei in different types of organic media were investigated. The three systems studied were a microaqueous medium containing enzyme in suspension in hexane, a water-hexane two-phase system, and reverse
Corjan van den Berg et al.
Biotechnology and bioengineering, 110(1), 137-142 (2012-07-27)
The recovery of 1-butanol from fermentation broth is energy-intensive since typical concentrations in fermentation broth are below 20 g L(-1). To prevent butanol inhibition and high downstream processing costs, we aimed at producing butyl esters instead of 1-butanol. It is
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