ethyl dodecanoate

• ChemBase ID: 109113
• Molecular Formular: C14H28O2
• Molecular Mass: 228.37092
• Monoisotopic Mass: 228.20893014
• SMILES: CCCCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
• InChIKey: MMXKVMNBHPAILY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl dodecanoate
• IUPAC Traditional name: ethyl laurate
• Synonyms: Dodecanoic acid ethyl ester; ETHYL LAURATE; Lauric acid ethyl ester; Ethyl dodecanoate; Ethyl dodecanoate; Ethyl laurate; Ethyl laurate; 十二酸乙酯; 十二酸乙酯; 月桂酸乙酯; 月桂酸乙基酯; 月桂酸乙酯

Database IDs

• CAS Number: 106-32-2; 106-33-2
• EC Number: 203-386-0
• MDL Number: MFCD00015065
• Beilstein Number: 1769671
• Merck Index: 143818
• PubChem SID: 24901086; 24874808; 162095024; 24896374; 24901087
• PubChem CID: 7800
• FEMA ID: 2441
• Council of Europe Number: 375c; 375
• Flavis Number: 9.099

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.98101
• LogD (pH = 7.4): 4.98101
• Log P: 4.98101
• Molar Refractivity: 68.1973 cm^3
• Polarizability: 27.283884 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -2°C
• Boiling Point: 268-270°C; 269 °C(lit.)
• Flash Point: 113 °C; 138°C(280°F); 235.4 °F
• Density: 0.858 g/ml; 0.86 g/mL at 25 °C(lit.); 0.862; 0.862 g/mL at 20 °C(lit.)
• Refractive Index: 1.4315; n20/D 1.432(lit.)
• Organoleptic: floral; fruity; green; fruity; floral

Safety Information

• 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)
• Storage Temperature: -20°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥98.0% (GC); ≥99% (TLC); 98%
• Grade: FG; Halal; Kosher; natural; NI
• Linear Formula: CH3(CH2)10COOC2H5

DETAILS

MP Biomedicals - 05209893

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W244104

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

Sigma Aldrich - W244112

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in poly drum

Sigma Aldrich - 61630

Packaging
100 mL in glass bottle