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1-Pentanone， 3-methoxy-1，5-diphenyl- - ≥95%, high purity , CAS No.51238-86-9

COA

Grade & Purity:

≥95%

Cas Number: 51238-86-9
Molecular Weight: 268.3502
PubChem CID: 11448568

In stock

Item Number

P769445

Grouped product items
SKU	Size	Availability	Price	Qty
P769445-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,080.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Butyrophenones Benzoyl derivatives Aryl alkyl ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ether - Dialkyl ether - 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

INCHI	InChI=1S/C18H20O2/c1-20-17(13-12-15-8-4-2-5-9-15)14-18(19)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKey	NORAXXZWLVRTBQ-UHFFFAOYSA-N
Smiles	COC(CCC1=CC=CC=C1)CC(=O)C2=CC=CC=C2
Isomeric SMILES	COC(CCC1=CC=CC=C1)CC(=O)C2=CC=CC=C2
Molecular Weight	268.3502

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	409.9±45.0°C(Predicted)
Molecular Weight	268.300 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	268.146 Da
Monoisotopic Mass	268.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	275.000
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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