octatriacontane

• ChemBase ID: 152704
• Molecular Formular: C38H78
• Molecular Mass: 535.02592
• Monoisotopic Mass: 534.6103525
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
• InChIKey: BVKCQBBZBGYNOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octatriacontane
• IUPAC Traditional name: N-octatriacontane
• Synonyms: Octatriacontane; 三十八烷

Database IDs

• CAS Number: 7194-85-6
• EC Number: 230-560-3
• MDL Number: MFCD00042899
• Beilstein Number: 1713496
• PubChem SID: 162246847; 24886753
• PubChem CID: 23599

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 17.357336
• LogD (pH = 7.4): 17.357336
• Log P: 17.357336
• Molar Refractivity: 176.6402 cm^3
• Polarizability: 70.933136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 35
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 77-79 °C

Safety Information

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

Product Information

• Purity: ≥98.0% (GC)
• Linear Formula: CH3(CH2)36CH3

DETAILS

Sigma Aldrich - 74893

Packaging
1, 5 g in glass bottle