04622

Octyl acetate

analytical standard

• Synonym(s): Acetic acid octyl ester
• Linear Formula: CH₃CO₂(CH₂)₇CH₃
• CAS Number: 112-14-1
• Molecular Weight: 172.26
• EC Number: 203-939-6
• MDL number: MFCD00009562
• UNSPSC Code: 85151701
• PubChem Substance ID: 329747959
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 5.9 (vs air)
• Assay: ≥98.5% (GC)
• autoignition temp.: 515 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 8.14 %
• impurities: ≤0.5% water
• refractive index: n20/D 1.418 (lit.); n20/D 1.418-1.421
• bp: 211 °C (lit.)
• density: 0.867 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CCCCCCCCOC(C)=O
• InChI: 1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
• InChI key: YLYBTZIQSIBWLI-UHFFFAOYSA-N

Description

General description

Octyl acetate is an aliphatic ester. It occurs as a constituent of essential oils derived from various fruits and is widely used in food processing industries due to its ability to impart a characteristic citrus flavor.

Application

Octyl acetate may be used as a reference standard for the determination of the analyte in wine samples and orange juice by chromatography based techniques.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 189.1 °F - closed cup
• Flash Point(C): 87.3 °C - closed cup