tritriacontane

• ChemBase ID: 151835
• Molecular Formular: C33H68
• Molecular Mass: 464.89302
• Monoisotopic Mass: 464.53210218
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
• InChIKey: SUJUOAZFECLBOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tritriacontane
• IUPAC Traditional name: tritriacontane
• Synonyms: Tritriacontane; 三十三烷

Database IDs

• CAS Number: 630-05-7
• MDL Number: MFCD00010187
• Beilstein Number: 1786920
• PubChem SID: 24889886; 24857058; 162245981; 24889883
• PubChem CID: 12411

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.134492
• LogD (pH = 7.4): 15.134492
• Log P: 15.134492
• Molar Refractivity: 153.6352 cm^3
• Polarizability: 61.697968 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 71-72 °C; 71-73 °C; 71-73 °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: ≥97.0% (GC); ≥98.0% (GC); 98%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)31CH3

DETAILS

Sigma Aldrich - 282634

Packaging
1 g in glass bottle
250 mg in glass bottle