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4’-Isobutylacetophenone - USP, high purity , CAS No.38861-78-8
Discover 4’-Isobutylacetophenone by Aladdin Scientific in USP for only $303.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4'-Isobutylacetophenone | 38861-78-8 | 4-Isobutylacetophenone | 1-(4-Isobutylphenyl)ethanone | p-iso-Butylacetophenone | p-Isobutylacetophenone | 1-[4-(2-methylpropyl)phenyl]ethanone | Ethanone, 1-[4-(2-methylpropyl)phenyl]- | 1-[4-(2-methylpropyl)phenyl]ethan-1-one | 4'-(
Specifications & Purity
PharmPure™, USP
Shipped In
Normal
Grade
USP
Product Description
A useful biochemical for proteomics research
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpropanes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-[4-(2-methylpropyl)phenyl]ethanone
INCHI
InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
InChIKey
KEAGRYYGYWZVPC-UHFFFAOYSA-N
Smiles
CC(C)CC1=CC=C(C=C1)C(=O)C
Isomeric SMILES
CC(C)CC1=CC=C(C=C1)C(=O)C
Molecular Weight
176.26
Reaxy-Rn
1935275
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935275&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.52
Flash Point(°F)
129°F
Flash Point(°C)
54°C
Boil Point(°C)
268 °C
Molecular Weight
176.250 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
176.12 Da
Monoisotopic Mass
176.12 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
164.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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