triacontane

• ChemBase ID: 104722
• Molecular Formular: C30H62
• Molecular Mass: 422.81328
• Monoisotopic Mass: 422.48515198
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
• InChIKey: JXTPJDDICSTXJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triacontane
• IUPAC Traditional name: triacontane
• Synonyms: Triacontane; n-TRIACONTANE; n-Triacontane; 三十烷; 正三十烷

Database IDs

• CAS Number: 638-68-6
• EC Number: 211-349-5
• MDL Number: MFCD00009410
• Beilstein Number: 1777281
• PubChem SID: 24867976; 24889338; 162093041; 24855888; 24889337
• PubChem CID: 12535

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 13.800786
• LogD (pH = 7.4): 13.800786
• Log P: 13.800786
• Molar Refractivity: 139.8322 cm^3
• Polarizability: 56.156876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform: soluble10 mg/mL, clear
• Melting Point: 64-67 °C; 64-67 °C(lit.); 65-67°C; 65-68°C
• Boiling Point: 258-259 °C/3 mmHg(lit.); 258-259°C @ 3mm; 455°C
• Flash Point: 237°C(458°F)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: 211-349-5
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: analytical standard; purum
• Packaging: ampule of 500 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)28CH3
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05224726

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156956

Purity: 99%
Crystalline

Sigma Aldrich - 263842

Packaging
1, 5, 25 g in glass bottle