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1,6-Diphenyl-1,6-hexanedione - 98%, high purity , CAS No.3375-38-0

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1,6-Diphenyl-1,6-hexanedione - 98%, high purity , CAS No.3375-38-0

COA

Grade & Purity:

≥98%

Cas Number: 3375-38-0
Molecular Weight: 266.34
Beilstein Registry Number: 7777
MDL number: MFCD00004761
PubChem CID: 76903

In stock

Item Number

D154418

Grouped product items
SKU	Size	Availability	Price
D154418-1g	1g	3	$46.90
D154418-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$178.90
D154418-25g	25g	1	$594.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-43087 \| InChI=1/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H \| MFCD00039398 \| 1,6-Hexanedione, 1,6-diphenyl- \| NSC 105666 \| NSC 22675 \| 1,4-Dibenzoylbutane \| 1,4-Dibenzoyl-butane \| Butane, 1,4-dibenzoyl- \|
Specifications & Purity	≥98%
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 Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - 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

Associated Targets(Human)

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,6-diphenylhexane-1,6-dione
INCHI	InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey	VRBLNWVVFVBNRK-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2
WGK Germany	3
Molecular Weight	266.34
Beilstein	7777
Reaxy-Rn	1977248
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1977248&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.

4 results found

Lot Number	Certificate Type	Date	Item
J2331184	Certificate of Analysis	Nov 06, 2023	D154418
J2331186	Certificate of Analysis	Nov 06, 2023	D154418
J2331187	Certificate of Analysis	Nov 06, 2023	D154418
J2331185	Certificate of Analysis	Nov 06, 2023	D154418

Chemical and Physical Properties

Melt Point(°C)	106-108°C
Molecular Weight	266.300 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	266.131 Da
Monoisotopic Mass	266.131 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	277.000
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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