W354503

Ethyl 3-hydroxyhexanoate

≥98%, FG

• Synonym(s): 3-hydroxyhexanoic acid ethyl ester, Ethyl 3-hydroxy caproate
• Linear Formula: CH₃CH₂CH₂CH(OH)CH₂CO₂C₂H₅
• CAS Number: 2305-25-1
• Molecular Weight: 160.21
• FEMA Number: 3545
• Council of Europe no.: 4101
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901773
• Flavis number: 9.535
• EC Number: 218-973-7
• NACRES: NA.21
• MDL number: MFCD00036604
• Organoleptic: grape; green; citrus; fruity; sweet
• Grade: FG, Fragrance grade, Halal, Kosher
• Biological source: synthetic
• Agency: follows IFRA guidelines, meets purity specifications of JECFA
• Food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Segment: 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 & 178/2002
• assay: ≥98%
• refractive index: n20/D 1.428 (lit.)
• bp: 90-92 °C/14 mmHg (lit.)
• density: 0.974 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: grape; green; citrus; fruity; sweet
• SMILES string: CCCC(O)CC(=O)OCC
• InChI: 1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
• InChI key: LYRIITRHDCNUHV-UHFFFAOYSA-N

Description

General description

Ethyl 3-hydroxyhexanoate is the key volatile flavor compound of orange juice. It also occurs in pineapple, wood apple, caja fruit and tamarillo fruit.

Application

• Novel Antiviral Activity of Ethyl 3-Hydroxyhexanoate Against Coxsackievirus B Infection.: Discusses the potential antiviral properties of Ethyl 3-hydroxyhexanoate, positioning it as a candidate for therapeutic use against Coxsackievirus, with implications for pharmaceutical applications and virology (Olasunkanmi et al., 2022).


• RIFM fragrance ingredient safety assessment, ethyl 3-hydroxyhexanoate, CAS Registry Number 2305-25-1.: A comprehensive safety assessment of Ethyl 3-hydroxyhexanoate used in fragrance formulations, emphasizing its toxicological profile and safe usage in consumer products (Api et al., 2020).

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 201.2 °F - closed cup
• flash_point_c: 94 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)