dotriacontane

• ChemBase ID: 90928
• Molecular Formular: C32H66
• Molecular Mass: 450.86644
• Monoisotopic Mass: 450.51645211
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
• InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dotriacontane
• IUPAC Traditional name: dotriacontane
• Synonyms: Bicetyl; Dotriacontane; Dotriacontane; DICETYL; 正三十二烷

Database IDs

• CAS Number: 544-85-4
• EC Number: 208-881-5
• MDL Number: MFCD00009411
• Beilstein Number: 1783260
• PubChem SID: 162077632; 24893665; 24867925; 24867902; 24867951; 24867887
• PubChem CID: 11008

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 29
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.689923
• LogD (pH = 7.4): 14.689923
• Log P: 14.689923
• Molar Refractivity: 149.0342 cm^3
• Polarizability: 59.850937 Å^3

PROPERTIES

Physical Property

• Melting Point: 65-70 °C; 65-70 °C(lit.); 65-70°C; 68°C; 68-71°C; 69-71 °C
• Boiling Point: 300-310°C; 467 °C(lit.); 467°C; 467°C/760mm
• Flash Point: 247°C
• Density: 0.812
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 15.6 (vs air)

Safety Information

• Storage Warning: Irritant
• RTECS: JT2360000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95% (GC); ≥96.0% (GC); ≥97% (GC); ≥98.0% (GC); 97%; 98%
• Grade: analytical standard; purum; technical
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)30CH3

DETAILS

MP Biomedicals - 05214129

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D223107

Packaging
25 g in poly bottle
5 g in glass bottle