W205508

Isoamyl acetate

≥95%, FCC, FG

• Synonym(s): Isopentyl acetate, Acetic acid 3-methylbutyl ester, Isoamyl acetate
• Linear Formula: CH₃COOCH₂CH₂CH(CH₃)₂
• CAS Number: 123-92-2
• Molecular Weight: 130.18
• FEMA Number: 2055
• Beilstein/REAXYS Number: 1744750
• EC Number: 204-662-3
• Council of Europe no.: 214
• MDL number: MFCD00008946
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900821
• Flavis number: 9.024
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• vapor density: 4.5 (vs air)
• vapor pressure: 5 mmHg ( 25 °C)
• assay: ≥95%
• form: liquid
• autoignition temp.: 680 °F
• expl. lim.: 7.5 %
• refractive index: n20/D 1.4 (lit.)
• bp: 142 °C/756 mmHg (lit.)
• mp: −78 °C (lit.)
• density: 0.876 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
• organoleptic: banana; fruity; sweet
• SMILES string: CC(C)CCOC(C)=O
• InChI: 1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
• InChI key: MLFHJEHSLIIPHL-UHFFFAOYSA-N

Description

General description

Isoamyl acetate has been identified as one of the main volatile aroma constituents in banana fruit and jackfruit. It is also formed during the fermentation of wine.

Application

• Gradually supply of isoamyl alcohol increases the isoamyl acetate production in solid-state fermentation.: This study explores the enhancement of isoamyl acetate production through the gradual supply of isoamyl alcohol during solid-state fermentation, highlighting its potential in biotechnological applications (Sainz-Mellado et al., 2023).


• Characterization of the flavor and nutritional value of coconut water vinegar based on metabolomics.: This research uses metabolomics to characterize the flavor and nutritional value of coconut water vinegar, identifying isoamyl acetate as a key flavor compound, emphasizing its significance in food chemistry (Xu et al., 2022).


• Green Synthesis of the Flavor Esters with a Marine Candida parapsilosis Esterase Expressed in Saccharomyces cerevisiae.: The study investigates the green synthesis of flavor esters, including isoamyl acetate, using a marine-derived esterase expressed in Saccharomyces cerevisiae, demonstrating an eco-friendly approach to ester production (Xue et al., 2020).


• Untargeted and targeted metabolomics strategy for the classification of strong aroma-type baijiu (liquor) according to geographical origin using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.: This paper employs advanced metabolomics techniques to classify baijiu based on geographical origin, identifying isoamyl acetate as a significant marker for flavor profiling (Song et al., 2020).


• The fungal aroma gene ATF1 promotes dispersal of yeast cells through insect vectors.: The research identifies the role of the ATF1 gene in the production of isoamyl acetate, which aids in the dispersal of yeast cells by attracting insect vectors, providing insights into microbial ecology and aroma compound production (Christiaens et al., 2014).

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 91.4 °F - closed cup
• flash_point_c: 33 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter