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3-Methyl-4-phenylbutan-2-one - 97%, high purity , CAS No.2550-27-8

COA

Grade & Purity:

≥97%

Cas Number: 2550-27-8
Molecular Weight: 162.23
PubChem CID: 102847

In stock

Item Number

M192329

Grouped product items
SKU	Size	Availability	Price	Qty
M192329-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
M192329-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90

Discover 3-Methyl-4-phenylbutan-2-one by Aladdin Scientific in 97% for only $28.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Methyl-4-phenylbutan-2-one \| 2550-27-8 \| 3-Methyl-4-phenyl-2-butanone \| 2-Butanone, 3-methyl-4-phenyl- \| AI3-24790 \| EINECS 219-849-5 \| SCHEMBL416368 \| YEHRTTZJTORGJL-UHFFFAOYSA- \| DTXSID30883863 \| YEHRTTZJTORGJL-UHFFFAOYSA-N \| CAA55027 \| MFCD00489841 \| AKOS010223878 \| DS-16642 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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

IUPAC Name	3-methyl-4-phenylbutan-2-one
INCHI	InChI=1S/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey	YEHRTTZJTORGJL-UHFFFAOYSA-N
Smiles	CC(CC1=CC=CC=C1)C(=O)C
Isomeric SMILES	CC(CC1=CC=CC=C1)C(=O)C
Molecular Weight	162.23
Reaxy-Rn	1938395
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938395&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.230 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	162.104 Da
Monoisotopic Mass	162.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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