3,6,9,12-tetraoxatetradeca-1,13-diene

• ChemBase ID: 146259
• Molecular Formular: C10H18O4
• Molecular Mass: 202.24752
• Monoisotopic Mass: 202.12050906
• SMILES: C=COCCOCCOCCOC=C
• Canonical SMILES: C=COCCOCCOCCOC=C
• InChI: InChI=1S/C10H18O4/c1-3-11-5-7-13-9-10-14-8-6-12-4-2/h3-4H,1-2,5-10H2
• InChIKey: CYIGRWUIQAVBFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12-tetraoxatetradeca-1,13-diene
• IUPAC Traditional name: 3,6,9,12-tetraoxatetradeca-1,13-diene
• Synonyms: Tri(ethylene glycol) divinyl ether; 三(乙二醇)二乙烯醚

Database IDs

• CAS Number: 765-12-8
• MDL Number: MFCD00074891
• PubChem SID: 162240458; 24859815
• PubChem CID: 3033992

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9929717
• LogD (pH = 7.4): 0.9929717
• Log P: 0.9929717
• Molar Refractivity: 53.5274 cm^3
• Polarizability: 21.451162 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-126 °C/18 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.99 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)
• Vapor Pressure: 20 mmHg ( 137 °C)

Safety Information

• RTECS: XF0877100
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: H2C=CH(OCH2CH2)3OCH=CH2

DETAILS

Sigma Aldrich - 329800

Packaging
1 L in glass bottle
250 mL in glass bottle