1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene

• ChemBase ID: 108154
• Molecular Formular: C18H24
• Molecular Mass: 240.38316
• Monoisotopic Mass: 240.18780077
• SMILES: C1CCc2c(C1)c1c(CCCC1)c1c2CCCC1
• Canonical SMILES: C1CCc2c(C1)c1CCCCc1c1c2CCCC1
• InChI: InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
• InChIKey: ODHYDPYRIQKHCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
• IUPAC Traditional name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
• Synonyms: Dodecahydrotriphenylene; DODECAHYDROTRI-o-PHENYLENE; 十二氢苯并菲

Database IDs

• CAS Number: 1610-39-5
• EC Number: 216-550-1
• MDL Number: MFCD00001109
• Beilstein Number: 2051002
• PubChem SID: 24846736; 162094052
• PubChem CID: 95278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3300085
• LogD (pH = 7.4): 6.3300085
• Log P: 6.3300085
• Molar Refractivity: 78.5046 cm^3
• Polarizability: 29.825523 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 231-233 °C(lit.)

Safety Information

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

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C18H24

DETAILS

MP Biomedicals - 05206262

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 106518

Packaging
10 g in glass bottle