495-40-9
Product Name:
Butyrophenone
Formula:
C10H12O
Synonyms:
1-Benzoylpropane;1-Phenyl-1-butanone;NSC 8463;Phenyl propyl ketone
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
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Vapor Pressure | 0.08 [mmHg] |
Kovats Retention Index | 1240 |
Chemical Classes | Other Classes -> Aromatic Ketones |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 148.20 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 148.088815002 g/mol |
Monoisotopic Mass | 148.088815002 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 123 |
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
Butyrophenone is a natural product found in Cichorium endivia with data available.