2-n-Propylphenol
[CAS 644-35-9]

Identification

• Classification: Natural product >> Natural phenols
• Name: 2-n-Propylphenol
• Synonyms: Nciopen2_000115; Sgcut00119; 4-06-00-03176 (Beilstein Handbook Reference)
• Molecular Formula: C₉H₁₂O
• Molecular Weight: 136.19
• CAS Registry Number: 644-35-9
• EINECS: 211-415-3
• FEMA: 3522
• SMILES: C1=CC=CC(=C1CCC)O
• InChI: 1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
• InChIKey: LCHYEKKJCUJAKN-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 219.999°C at 760 mmHg (Cal.)
• Flash point: 93°C (Expl.)
• Refractive index: 1.528 (Expl.)

Safety Data

• Safety Code: S26;S36/37/39;S45
• Risk Code: R22;R34
• Hazard Symbol: X;C
• Transport Information: UN3145
• Safety Description: DANGER: CORROSIVE, burns skin and eyes

References

• (1): Christopher J. C. WhitehouseThese authors contributed equally to the work, Wen Yang, Jake A. Yorke, Henry G. Tufton, Lydia C. I. Ogilvie, Stephen G. Bell, Weihong Zhou, Mark Bartlam, Zihe Rao and Luet-Lok Wong. Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450BM3) variant, Dalton Trans., 2011, 40, 10383.