1,4-diethenylbenzene; 2-[(benzyloxy)methyl]oxirane; ethenylbenzene

• ChemBase ID: 146199
• Molecular Formular: C28H30O2
• Molecular Mass: 398.5366
• Monoisotopic Mass: 398.2245802
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1ccc(cc1)COCC1CO1
• Canonical SMILES: c1ccc(cc1)COCC1CO1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C10H12O2.C10H10.C8H8/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8/h1-5,10H,6-8H2;3-8H,1-2H2;2-7H,1H2
• InChIKey: KRZGZGXXONWBRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; 2-[(benzyloxy)methyl]oxirane; ethenylbenzene
• IUPAC Traditional name: 2-[(benzyloxy)methyl]oxirane; divinylbenzene; styrene
• Synonyms: Epoxide resin; Glycidyl methyl ether, polymer-bound; 环氧树脂; 甲基缩水甘油醚，聚合物键合型

Database IDs

• MDL Number: MFCD03456957
• PubChem SID: 162240398; 24874732
• PubChem CID: 16213861

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6902891
• LogD (pH = 7.4): 1.6902891
• Log P: 1.6902891
• Molar Refractivity: 46.3698 cm^3
• Polarizability: 18.342747 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Particle Size: 50-90 mesh
• Extent of Labeling: 3.0 mmol/g loading
• Crosslinking: 1 % cross-linked with divinylbenzene

DETAILS

Sigma Aldrich - 549924

Packaging
5, 25 g in glass bottle