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Cyclobutyl Phenyl Ketone - >95.0%(GC), high purity , CAS No.5407-98-7

COA

Grade & Purity:

≥95%(GC)

Cas Number: 5407-98-7
Molecular Weight: 160.22
Beilstein Registry Number: 7374
MDL number: MFCD00001326
PubChem CID: 79414
PubChem SID: 504755371

In stock

Item Number

C153782

Grouped product items
SKU	Size	Availability	Price
C153782-1g	1g	3	$14.90
C153782-5g	5g	2	$57.90
C153782-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$256.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	DTXCID9028176 \| EN300-82990 \| Cyclobutyl phenyl ketone, 98% \| NCGC00257510-01 \| phenyl cyclobutyl ketone \| CAS-5407-98-7 \| Cyclobutyl(phenyl)methanone \| cyclobutyl-phenyl-methanone \| FT-0624157 \| AKOS009156391 \| EINECS 226-473-5 \| 3,4-(Methylenedioxy)benz
Specifications & Purity	≥95%(GC)
Shipped In	Normal
Product Description	Cyclobutyl phenyl ketone was used to study thermal reactions of parent and phenyl substituted N-acyl cyclobutylimines.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

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	Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755371
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755371
IUPAC Name	cyclobutyl(phenyl)methanone
INCHI	InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey	MVEBDOSCXOQNAR-UHFFFAOYSA-N
Smiles	C1CC(C1)C(=O)C2=CC=CC=C2
Isomeric SMILES	C1CC(C1)C(=O)C2=CC=CC=C2
WGK Germany	3
Molecular Weight	160.22
Beilstein	7374
Reaxy-Rn	2044307
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044307&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
H2401380	Certificate of Analysis	Apr 16, 2024	C153782
F2419213	Certificate of Analysis	Mar 27, 2024	C153782
F2419229	Certificate of Analysis	Mar 27, 2024	C153782
F2419231	Certificate of Analysis	Mar 27, 2024	C153782
F2419211	Certificate of Analysis	Mar 27, 2024	C153782
F2419212	Certificate of Analysis	Mar 27, 2024	C153782
F2419230	Certificate of Analysis	Mar 27, 2024	C153782

Chemical and Physical Properties

Refractive Index	1.55
Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Boil Point(°C)	115 °C/6.8 mmHg
Melt Point(°C)	116℃
Molecular Weight	160.210 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	160.089 Da
Monoisotopic Mass	160.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
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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