2-(phenoxymethyl)oxirane; tricyclo[5.2.1.02,6]decane

• ChemBase ID: 146942
• Molecular Formular: C19H26O2
• Molecular Mass: 286.40854
• Monoisotopic Mass: 286.19328007
• SMILES: c1ccc(cc1)OCC1CO1.C1CC2C3CCC(C3)C2C1
• Canonical SMILES: C1CC2C(C1)C1CC2CC1.c1ccc(cc1)OCC1OC1
• InChI: InChI=1S/C10H16.C9H10O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-4-8(5-3-1)10-6-9-7-11-9/h7-10H,1-6H2;1-5,9H,6-7H2
• InChIKey: DHEGZIIJBKEHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenoxymethyl)oxirane; tricyclo[5.2.1.0^2,^6]decane
• IUPAC Traditional name: phenyl glydidyl ether; tricyclo[5.2.1.0^2,^6]decane
• Synonyms: Poly[(phenyl glycidyl ether)-co-dicyclopentadiene]; 聚[(苯基缩水甘油醚)-co-二聚环戊二烯]

Database IDs

• CAS Number: 119345-05-0
• MDL Number: MFCD00197917
• PubChem SID: 162241134
• PubChem CID: 45051980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6568412
• LogD (pH = 7.4): 1.6568412
• Log P: 1.6568412
• Molar Refractivity: 41.2659 cm^3
• Polarizability: 16.490126 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F
• Density: 1.16 g/mL at 25 °C(lit.)
• Transition Temperature: Tg 48-52 °C

Safety Information

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

Product Information

• Mol. Weight: average Mn ~490

DETAILS

Sigma Aldrich - 413291

Packaging
250 g in glass bottle