3-[1,2,2-tris(prop-2-en-1-yloxy)ethoxy]prop-1-ene

• ChemBase ID: 111638
• Molecular Formular: C14H22O4
• Molecular Mass: 254.32208
• Monoisotopic Mass: 254.15180918
• SMILES: C=CCOC(OCC=C)C(OCC=C)OCC=C
• Canonical SMILES: C=CCOC(C(OCC=C)OCC=C)OCC=C
• InChI: InChI=1S/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2
• InChIKey: BXAAQNFGSQKPDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1,2,2-tris(prop-2-en-1-yloxy)ethoxy]prop-1-ene
• IUPAC Traditional name: 3-[1,2,2-tris(prop-2-en-1-yloxy)ethoxy]prop-1-ene
• Synonyms: TETRAALLYLOXYETHANE; 1,1,2,2-Tetraallyloxyethane; Glyoxal bis(diallyl acetal); Glyoxal bis(diallyl acetal); 1,1,2,2-Tetraallyloxyethane; 1,1,2,2-四烯丙氧基乙烷; 四烯丙氧基乙烷; 1,1,2,2-四烯丙氧基乙烷

Database IDs

• CAS Number: 16646-44-9
• EC Number: 240-692-3
• MDL Number: MFCD00043927
• Beilstein Number: 2254529
• PubChem SID: 162096696; 24855759
• PubChem CID: 85528

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5603783
• LogD (pH = 7.4): 3.5603783
• Log P: 3.5603783
• Molar Refractivity: 72.269 cm^3
• Polarizability: 28.31703 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-160 °C/25 mmHg(lit.); 155-160°C; 290°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.99 g/ml; 1.001; 1.001 g/mL at 25 °C(lit.)
• Refractive Index: 1.4560; n20/D 1.4556(lit.)

Safety Information

• RTECS: KI8925000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22; R:22-27
• Safety Statements: 36/37; 36/37-60; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280; P280-P302+P352-P322-P301+P312-P312-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: tech. 80%
• Linear Formula: [-CH(OCH2CH=CH2)2]2

DETAILS

MP Biomedicals - 05220139

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 260541

Packaging
50 mL in glass bottle
Application
Mixture of several acetal structures.1