W244910

Ethyl octanoate

natural, ≥98%, FCC, FG

• Synonym(s): Ethyl caprylate
• Linear Formula: CH₃(CH₂)₆COOC₂H₅
• CAS Number: 106-32-1
• Molecular Weight: 172.26
• FEMA Number: 2449
• Beilstein/REAXYS Number: 1754470
• EC Number: 203-385-5
• Council of Europe no.: 392c
• MDL number: MFCD00009552
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901096
• Flavis number: 9.111
• NACRES: NA.21

Properties

• grade: FG; Halal; Kosher; natural
• Quality Level: 400
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117
• vapor pressure: 0.02 mmHg ( 25 °C)
• assay: ≥98%
• refractive index: n20/D 1.417 (lit.)
• bp: 206-208 °C (lit.)
• mp: −48-−47 °C (lit.)
• solubility: ethanol: soluble 1ml/4ml, clear, colorless (70% ethanol)
• density: 0.867 g/mL at 20 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: banana; fruity; floral; pineapple
• SMILES string: CCCCCCCC(=O)OCC
• InChI: 1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
• InChI key: YYZUSRORWSJGET-UHFFFAOYSA-N

Description

General description

Ethyl octanoate is an ethyl ester. It is an aroma active compound and is mainly responsible for the aroma of durian juices and wines. Its odor activity value (OAV) has been measured. It has been identified as an odor active compound present in the young monovarietal red wines prepared from various grape species.

Application

Ethyl octanoate is suitaible reagent used as standard for the measurement of flavor-active compounds by gas chromatography. It may be employed as acyl donor in acyl transfer reactions catalyzed by Candida antarctica lipase B in organic media and in lipase catalyzed acyl transfer reaction with 2-octanol as acyl acceptor.

Ethyl octanoate may be employed as acyl donor in the Candida antarctica lipase B catalyzed acyl transfer reactions. Reaction mechanism and kinetics of these reactions have been studied.

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 167.0 °F - closed cup
• flash_point_c: 75 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter