W272809

Methyl octanoate

99%, FG

• Synonyme(s) : Caprylic acid methyl ester, Methyl caprylate
• Formule linéaire : CH₃(CH₂)₆COOCH₃
• Numéro CAS: 111-11-5
• Poids moléculaire : 158.24
• Numéro FEMA: 2728
• Numéro Beilstein : 1752270
• Numéro CE : 203-835-0
• Conseil de l'Europe Nº : 398
• Numéro MDL: MFCD00009551
• Code UNSPSC : 12164502
• ID de substance PubChem : 24901293
• Numéro Flavis : 9.117
• Nomenclature NACRES : NA.21

Propriétés

• Source biologique: synthetic
• Niveau de qualité: 400
• Qualité: FG; Fragrance grade; Halal; Kosher
• Agence: follows IFRA guidelines; meets purity specifications of JECFA
• Conformité réglementaire: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 172.515
• Pureté: 99%
• Indice de réfraction: n20/D 1.417 (lit.)
• Point d'ébullition: 194-195 °C (lit.)
• Densité: 0.877 g/mL at 25 °C (lit.)
• Application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• Allergène alimentaire: no known allergens
• Allergène de parfum: no known allergens
• Propriétés organoleptiques: green; fruity; citrus; sweet
• Chaîne SMILES: CCCCCCCC(=O)OC
• InChI: 1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
• Clé InChI: JGHZJRVDZXSNKQ-UHFFFAOYSA-N

Description

Description générale

Methyl octanoate has been identified in the volatile flavor fractions of blue cheese and soursop.

Application

• Efficient identification of raw and ripe tung oil using headspace GC-MS.: This research demonstrates the use of headspace gas chromatography-mass spectrometry for identifying components, including methyl octanoate, in tung oil. The method offers applications in quality control and authentication of oil products (Xu et al., 2021).


• Chemical kinetic study of the oxidation of a biodiesel-bioethanol surrogate fuel: methyl octanoate-ethanol mixtures.: The paper investigates the oxidation kinetics of methyl octanoate and ethanol mixtures, providing insights into their use as biofuels. This study is significant for the development of renewable energy sources (Togbe et al., 2010).

Informations sur la sécurité

• Code de la classe de stockage: 10 - Combustible liquids
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): 179.6 °F - closed cup
• Point d'éclair (°C): 82 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Gloves, type ABEK (EN14387) respirator filter