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3-Methyl-1-phenyl-2-butanone - 97%, high purity , CAS No.2893-05-2

COA

Grade & Purity:

≥97%

Cas Number: 2893-05-2
Molecular Weight: 162.23
Beilstein Registry Number: 7(4)739
MDL number: MFCD00040487
PubChem CID: 76163
PubChem SID: 488185220

In stock

Item Number

M158345

Grouped product items
SKU	Size	Availability	Price
M158345-1ml	1ml	3	$17.90
M158345-5ml	5ml	2	$67.90
M158345-25ml	25ml	1	$221.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-139817 \| NSC 406926 \| B1029 \| UNII-81804S3MKM \| FT-0693432 \| AI3-11066 \| EINECS 220-765-6 \| 3-Methyl-1-phenyl-2-butanone \| 1-phenyl-3-methyl-2-butanone \| Isopropylbenzyl ketone \| 3-Methyl-1-phenylbutan-2-one \| AKOS009157928 \| AS-60356 \| ?3-METHYL-1-
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Application： 3-Methyl-1-phenyl-2-butanone is used as pharmaceutical intermediate.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	488185220
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185220
IUPAC Name	3-methyl-1-phenylbutan-2-one
INCHI	InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey	ZATIMOAGKJEVGN-UHFFFAOYSA-N
Smiles	CC(C)C(=O)CC1=CC=CC=C1
Isomeric SMILES	CC(C)C(=O)CC1=CC=CC=C1
Molecular Weight	162.23
Beilstein	7(4)739
Reaxy-Rn	2042880
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042880&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
C2407087	Certificate of Analysis	Dec 28, 2023	M158345
C2407084	Certificate of Analysis	Dec 28, 2023	M158345
C2407086	Certificate of Analysis	Dec 28, 2023	M158345
C2407085	Certificate of Analysis	Dec 28, 2023	M158345
E2517073	Certificate of Analysis	Oct 08, 2023	M158345
I2325551	Certificate of Analysis	Oct 08, 2023	M158345
I2325385	Certificate of Analysis	Oct 08, 2023	M158345
I2325384	Certificate of Analysis	Oct 08, 2023	M158345
I2325381	Certificate of Analysis	Oct 08, 2023	M158345
I2325382	Certificate of Analysis	Oct 08, 2023	M158345
I2325383	Certificate of Analysis	Oct 08, 2023	M158345

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Chemical and Physical Properties

Solubility	Not miscible in water.
Refractive Index	1.5
Boil Point(°C)	240°C(lit.)
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	143.000
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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