ethyl decanoate

• ChemBase ID: 103093
• Molecular Formular: C12H24O2
• Molecular Mass: 200.31776
• Monoisotopic Mass: 200.17763001
• SMILES: CCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
• InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl decanoate
• IUPAC Traditional name: ethyl decanoate
• Synonyms: ETHYL CAPRATE; Ethyl caprinate; Ethyl decylate; Capric acid ethyl ester; Decanoic acid ethyl ester; Ethyl decanoate; Ethyl caprate; Ethyl decanoate; CAPRIC ACID ETHYL ESTER; Ethyl decanoate; 正癸酸乙酯; 羊蜡酸乙酯; 癸酸乙酯

Database IDs

• CAS Number: 110-38-3
• EC Number: 203-761-9
• MDL Number: MFCD00009581
• Beilstein Number: 1762128
• Merck Index: 143776
• PubChem SID: 162091215; 24852827; 24848927; 24901074; 24901075
• PubChem CID: 8048
• Chemspider ID: 7757
• FEMA ID: 2432
• Wikipedia Title: Ethyl_decanoate
• Council of Europe Number: 309; 309c
• Flavis Number: 9.059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0918727
• LogD (pH = 7.4): 4.0918727
• Log P: 4.0918727
• Molar Refractivity: 58.9953 cm^3
• Polarizability: 23.596272 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -20°C; -26°C
• Boiling Point: 224 °C(lit.); 245 °C(lit.); 245°C; 250-252°C
• Flash Point: 102 °C; 102°C(216°F); 215.6 °F
• Density: 0.862; 0.862 g/cm^3; 0.862 g/ml; 0.862 g/mL at 25 °C; 0.864 g/mL at 20 °C(lit.); 0.865 g/mL at 25 °C
• Refractive Index: 1.4250; n20/D 1.425; n20/D 1.425(lit.)
• Vapor Density: 6.9 (vs air)
• Organoleptic: grape; oily; pear; grape; oily; wine-like

Safety Information

• Storage Condition: 2-8°C
• RTECS: HD9420000
• 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: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥99%; ≥99.0% (GC); 95+%; 99%
• Grade: FG; Halal; Kosher; natural; NI; puriss.; ReagentPlus®
• Linear Formula: CH3(CH2)8COOC2H5

DETAILS

MP Biomedicals - 05208771

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W243213

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4, 9 kg in poly drum

Sigma Aldrich - 148970

Packaging
100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - W243205

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