38861-78-8
Product Name:
4'-(2-Methylpropyl)acetophenone
Formula:
C12H16O
Synonyms:
1-(4-Isobutylphenyl)ethanone;1-Acetyl-4-isobutylbenzene
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CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1411 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 176.25 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 176.120115130 g/mol |
Monoisotopic Mass | 176.120115130 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 164 |
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 |