dodecylbenzene

• ChemBase ID: 111845
• Molecular Formular: C18H30
• Molecular Mass: 246.4308
• Monoisotopic Mass: 246.23475096
• SMILES: CCCCCCCCCCCCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
• InChIKey: KWKXNDCHNDYVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecylbenzene
• IUPAC Traditional name: dodecylbenzene
• Synonyms: DODECYLBENZENE TECHNICAL GRADE; n-DODECYL BENZENE; 1-Phenyldodecane; Phenyldodecane; n-Dodecylbenzene; Laurylbenzene; Dodecylbenzene; Dodecylbenzene; 1-Phenyldodecane; n-Dodecylbenzene; Dodecylbenzene, mixture of isomers; 十二烷基苯; 正十二烷基苯; 十二烷基苯, 异构体混合物

Database IDs

• CAS Number: 123-01-3; 25265-78-5
• EC Number: 204-591-8
• MDL Number: MFCD00008974
• Beilstein Number: 1909107
• PubChem SID: 24867701; 24867704; 24846872; 162096879
• PubChem CID: 31237
• Chemspider ID: 28977
• Wikipedia Title: Dodecylbenzene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3769226
• LogD (pH = 7.4): 7.3769226
• Log P: 7.3769226
• Molar Refractivity: 81.7102 cm^3
• Polarizability: 32.47629 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: colourless liquid; Liquid
• Melting Point: 3 °C(lit.); -3°C; -3°C; -7 °C; -7°C
• Boiling Point: 179°C; 179-180°C/13mm; 185-188 °C/15 mmHg(lit.); 290 - 410 °C (mixture of isomers); 290°C; 331 °C(lit.); 331°C
• Flash Point: 109 °C; 124°C(255°F); 135 °C; 228.2 °F
• Density: 0.856; 0.856 g/cm^3; 0.856 g/mL at 25 °C(lit.); 0.8564 g/ml; 0.87
• Refractive Index: 1.4820; 1.49; n20/D 1.482; n20/D 1.482(lit.)

Safety Information

• RTECS: CZ9540000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是
• NFPA704:
  

  1

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥97.0% (GC); ≥99.5% (GC); 95+%; 97%
• Grade: analytical standard; purum; TECHNICAL
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C6H5(CH2)11CH3

DETAILS

MP Biomedicals - 05221326

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05222302

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 113239

Packaging
25 g in glass bottle