hexatriacontane

• ChemBase ID: 110561
• Molecular Formular: C36H74
• Molecular Mass: 506.97276
• Monoisotopic Mass: 506.57905237
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• InChIKey: YDLYQMBWCWFRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexatriacontane
• IUPAC Traditional name: hexatriacontane
• Synonyms: Hexatriacontane; n-Hexatriacontane; HEXATRIACONTANE; 正三十六烷

Database IDs

• CAS Number: 630-06-8
• EC Number: 211-127-8
• MDL Number: MFCD00009413
• Beilstein Number: 1712367
• PubChem SID: 24867957; 24877661; 24877659; 162088951; 24895443
• PubChem CID: 12412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 16.468199
• LogD (pH = 7.4): 16.468199
• Log P: 16.468199
• Molar Refractivity: 167.4382 cm^3
• Polarizability: 67.23907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Wax
• Melting Point: 74°C; 74-76 °C; 74-76 °C(lit.); 75-77 °C; 76.2°C
• Boiling Point: 265 °C/1 mmHg(lit.); 497°C
• Density: 0.7795
• Refractive Index: 1.4573
• Vapor Density: 17.6 (vs air)

Safety Information

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

Product Information

• Purity: ≥96.0% (GC); ≥98.0% (GC); 95+%; 97+%; 98%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Impurities: ≤1% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)34CH3

DETAILS

MP Biomedicals - 05215534

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H12552

Packaging
25, 50 g in poly bottle
5 g in glass bottle