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] |
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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 |
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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 |
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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.