ethyl hexadecanoate

• ChemBase ID: 90525
• Molecular Formular: C18H36O2
• Molecular Mass: 284.47724
• Monoisotopic Mass: 284.27153039
• SMILES: O(CC)C(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
• InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl hexadecanoate
• IUPAC Traditional name: ethyl palmitate
• Synonyms: Ethyl palmitate; Hexadecanoic Acid Ethyl Ester; NSC 8918; Ethyl hexadecanoate; Palmitic acid ethyl ester; Ethyl palmitate; PALMITIC ACID ETHYL ESTER; Ethyl palmitate; 十六酸乙酯; 棕榈酸乙基酯; 棕榈酸乙酯

Database IDs

• CAS Number: 628-97-7; 105-37-3
• EC Number: 211-064-6
• MDL Number: MFCD00008996
• Beilstein Number: 1782663
• PubChem SID: 24901097; 162077322; 24899002; 24886943
• PubChem CID: 12366
• FEMA ID: 2451
• Council of Europe Number: 634
• Flavis Number: 9.193

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.759285
• LogD (pH = 7.4): 6.759285
• Log P: 6.759285
• Molar Refractivity: 86.6013 cm^3
• Polarizability: 34.66299 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Off-White Low Melting Solid
• Melting Point: 22-26°C; 24-26 °C(lit.); 26-28°C
• Boiling Point: 192-193 °C/10 mmHg(lit.); 192-193°C/10mm; 192-193°C/10mm
• Flash Point: >110°C; >113 °C; >235.4 °F; 178°C(352°F)
• Density: 0.857; 0.857 g/mL at 25 °C(lit.); 0.87 g/ml
• Refractive Index: 1.4395; n20/D 1.440; n20/D 1.440(lit.)
• Organoleptic: waxy

Safety Information

• Storage Condition: 0°C; Refrigerator
• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; ≥95.0% (GC); ≥99%; 95+%; 97%; 99%
• Grade: FG; Halal; Kosher; NI
• Linear Formula: CH3(CH2)14COOC2H5

DETAILS

MP Biomedicals - 05210190

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156037

Purity: 99%
1 ml = approx. 0.87 g

Sigma Aldrich - P9009

包装
5, 25 g in glass bottle

Sigma Aldrich - W245100

Packaging
1 kg in glass bottle
1 sample in glass bottle
250 g in glass bottle
5, 10 kg in poly drum

Toronto Research Chemicals - E925480

A fatty acid found in Amaranth oil; it shows inhibitory activity.

REFERENCES

• Fidler, N., et al.: J. Lipid Res., 41, 1376 (2000)
• Yang, T., et al.: Food Chem., 80, 473 (2000)
• Gamel, T., et al.: J. Food Lipids, 14, 323 (2000)