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645-56-7

645-56-7 structural image
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)
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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.