W319104

2-Methylhexansäure

≥99%, FG

• Synonym(e): 2-Methyl-capronsäure
• Lineare Formel: CH₃(CH₂)₃CH(CH₃)COOH
• CAS-Nummer: 4536-23-6
• Molekulargewicht: 130.18
• FEMA-Nummer: 3191
• Beilstein: 1721227
• EG-Nummer: 224-883-9
• CoE-Nummer: 582
• MDL-Nummer: MFCD00002674
• UNSPSC-Code: 12164502
• PubChem Substanz-ID: 24901542
• Flavis-Nummer: 8.035
• NACRES: NA.21

Eigenschaften

• Biologische Quelle: synthetic
• Qualitätsniveau: 400
• Qualität: FG; Fragrance grade; Halal; Kosher
• Agentur: follows IFRA guidelines; meets purity specifications of JECFA
• Einhaltung gesetzlicher Vorschriften: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002
• Assay: ≥99%
• Brechungsindex: n20/D 1.422 (lit.)
• bp: 209-210 °C (lit.)
• Dichte: 0.918 g/mL at 25 °C (lit.)
• Anwendung(en): flavors and fragrances
• Dokumentation: see Safety & Documentation for available documents
• Nahrungsmittelallergen: no known allergens
• Allergener Duftstoff: no known allergens
• Organoleptisch: fatty; lard; oily; acidic
• SMILES String: CCCCC(C)C(O)=O
• InChI: 1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
• InChIKey: CVKMFSAVYPAZTQ-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.

Anwendung

• Update to RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS registry number 4536-23-6.: This study updates the safety assessment of 2-methylhexanoic acid used in fragrance applications (Api et al., 2024).


• Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters.: This paper presents a novel biocatalytic method for synthesizing branched acid esters, utilizing 2-methylhexanoic acid as a precursor (Montiel et al., 2021).

Sicherheitshinweise

• Piktogramme: GHS02,GHS05
• Signalwort: Danger
• H-Sätze: H226,H314
• P-Sätze: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 134.6 °F - closed cup
• Flammpunkt (°C): 57 °C - closed cup
• Persönliche Schutzausrüstung: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter