1,14-diethyl tetradecanedioate

• ChemBase ID: 151281
• Molecular Formular: C18H34O4
• Molecular Mass: 314.46016
• Monoisotopic Mass: 314.24570957
• SMILES: CCOC(=O)CCCCCCCCCCCCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C18H34O4/c1-3-21-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22-4-2/h3-16H2,1-2H3
• InChIKey: XXYWYFSQJPFXBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,14-diethyl tetradecanedioate
• IUPAC Traditional name: 1,14-diethyl tetradecanedioate
• Synonyms: Diethyl tetradecanedioate

Database IDs

• CAS Number: 19812-63-6
• EC Number: 243-340-7
• MDL Number: MFCD00009205
• PubChem SID: 162245437; 24848626
• PubChem CID: 88260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0526075
• LogD (pH = 7.4): 5.0526075
• Log P: 5.0526075
• Molar Refractivity: 88.5824 cm^3
• Polarizability: 35.41162 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 29-31 °C(lit.)
• Flash Point: 106 °C; 222.8 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C2H5O2C(CH2)12CO2C2H5

DETAILS

Sigma Aldrich - 144045

Packaging
25 g in glass bottle