nonadecylbenzene

• ChemBase ID: 112380
• Molecular Formular: C25H44
• Molecular Mass: 344.61686
• Monoisotopic Mass: 344.34430141
• SMILES: CCCCCCCCCCCCCCCCCCCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3
• InChIKey: SHWJJBRTHGGZBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecylbenzene
• IUPAC Traditional name: benzene, nonadecyl-
• Synonyms: n-NONADECYL BENZENE; Nonadecylbenzene; 1-Phenylnonadecane; 十九烷基苯; 正十九烷基苯

Database IDs

• CAS Number: 94248-04-1; 29136-19-4
• EC Number: 249-467-4
• MDL Number: MFCD00026692
• Beilstein Number: 2374683
• PubChem SID: 162097450; 24886663
• PubChem CID: 94400

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.488903
• LogD (pH = 7.4): 10.488903
• Log P: 10.488903
• Molar Refractivity: 113.9172 cm^3
• Polarizability: 45.40474 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 33-36 °C; 36-41 °C
• Boiling Point: 419 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); ≥99.5% (GC)
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C6H5(CH2)18CH3

DETAILS

MP Biomedicals - 05223663

MP Biomedicals Rare Chemical collection