tridecylbenzene

• ChemBase ID: 111410
• Molecular Formular: C19H32
• Molecular Mass: 260.45738
• Monoisotopic Mass: 260.25040102
• SMILES: CCCCCCCCCCCCCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3
• InChIKey: MCVUKOYZUCWLQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecylbenzene
• IUPAC Traditional name: 1-phenyltridecane
• Synonyms: TRIDECYLBENZENE(MIXED ISOMERS); n-TRIDECYLBENZENE; Tridecylbenzene; 1-Phenyltridecane; 1-Phenyltridecane; Tridane; n-Tridecylbenzene; 十三烷基苯; 正十三烷基苯

Database IDs

• CAS Number: 123-02-4
• EC Number: 204-592-3
• MDL Number: MFCD00008980
• Beilstein Number: 1947201
• Merck Index: 149659
• PubChem SID: 162096775; 24889500; 24846873
• PubChem CID: 31238

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.8214912
• LogD (pH = 7.4): 7.8214912
• Log P: 7.8214912
• Molar Refractivity: 86.3112 cm^3
• Polarizability: 34.323174 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 10 °C(lit.); 10°C
• Boiling Point: 188-190 °C/10 mmHg(lit.); 340°C
• Flash Point: >112 °C; >233.6 °F; 112°C(233°F)
• Density: 0.881; 0.881 g/mL at 25 °C(lit.)
• Refractive Index: 1.4820; n20/D 1.482; n20/D 1.482(lit.)
• Transition Temperature: solidification point 10 °C

Safety Information

• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• TSCA Listed: 是
• 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); 97%; 99%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C6H5(CH2)12CH3

DETAILS

MP Biomedicals - 05221418

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05219061

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 113247

Packaging
5 g in glass bottle