645-56-7
Product Name:
4-Propylphenol
Formula:
C9H12O
Synonyms:
(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one;p-Propylphenol;3PO (inhibitor of glucose metabolism)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow liquid; mp = 20-22 deg C; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Melting Point | 21 - 22 °C |
| Solubility | 1.28 mg/mL at 25 °C |
| Density | 0.980-0.986 |
| LogP | 3.20 |
| Refractive Index | 1.523-1.527 |
| Kovats Retention Index | 1231.3 |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.19 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 136.088815002 g/mol |
| Monoisotopic Mass | 136.088815002 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 82.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-Propylphenol is an alkylbenzene.