ethyl tetradecanoate

• ChemBase ID: 104384
• Molecular Formular: C16H32O2
• Molecular Mass: 256.42408
• Monoisotopic Mass: 256.24023026
• SMILES: CCCCCCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
• InChIKey: MMKRHZKQPFCLLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl tetradecanoate
• IUPAC Traditional name: ethylmyristate
• Synonyms: Tetradecanoic Acid Ethyl Ester; NSC 8917; Nikkol BM; Ethyl tetradecanoate; Ethyl tetradecanoate; Ethyl tetradecanoate; Myristic acid ethyl ester; Ethyl myristate; glyceryl trimyristate; Trimyristin; Ethyl myristate; MYRISTIC ACID ETHYL ESTER; ETHYL MYRISTATE; 十四烷酸乙酯; 肉豆蔻酸乙酯; 十四酸乙酯

Database IDs

• CAS Number: 124-06-1; 555-45-3
• EC Number: 204-675-4
• MDL Number: MFCD00008984
• Beilstein Number: 1776382
• Merck Index: 146333
• PubChem SID: 162091532; 24886050; 24894532; 24901092
• PubChem CID: 11148; 31283
• FEMA ID: 2445
• Unique Ingredient Identifier: 18L31PSR28
• Wikipedia Title: Trimyristin
• Council of Europe Number: 385
• Flavis Number: 9.104

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.870147
• LogD (pH = 7.4): 5.870147
• Log P: 5.870147
• Molar Refractivity: 77.3993 cm^3
• Polarizability: 30.972935 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Insoluble in water; Methanol
• Apperance: Colourless Oil
• Melting Point: 11°C; 11-12 °C(lit.); 11-12°C; 12°C; 56 - 57°C
• Boiling Point: 178-180 °C/12 mmHg(lit.); 178-180°C @ 12mm; 295°C; 311°C
• Flash Point: 100°C; 113 °C; 135°C(275°F); 235.4 °F
• Density: 0.86 g/mL at 25 °C(lit.); 0.860; 0.862 g/ml; 0.885 g/cm^3 at 60 °C
• Refractive Index: 1.4360; n20/D 1.436(lit.)
• Organoleptic: waxy; soapy

Safety Information

• Storage Condition: 2-8°C; Refrigerator
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Regulation Compliance: FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; 95+%; 97%; 98%; 99%; 99% (GC)
• Grade: Halal; Kosher; NI
• Linear Formula: CH3(CH2)12COOC2H5

DETAILS

MP Biomedicals - 02155752

(Ethyl myristate) Purity: 99% 1 ml = approx. 0.86 g

MP Biomedicals - 05206886

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 70090

Packaging
100 mL in glass bottle

Sigma Aldrich - W244503

Packaging
1 kg in aluminum bottle
1 sample in glass bottle
4, 9, 20 kg in steel drum

Sigma Aldrich - E39600

Packaging
500 mL in glass bottle

Toronto Research Chemicals - E925180

A component from essential oil of natural hawthorn perfume.

REFERENCES

• Mau, J., et al.: J. Agric. Food Chem., 49, 183 (2001)
• Paine, A., et al.: Hum. Exp. Toxicol., 20, 563 (2001)
• Apostolopoulou, A., et al.: Food Control., 16, 157 (2001)