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3,5-Dimethyl-1,2-cyclopentadione - ≥97%, high purity , CAS No.13494-07-0

COA

Grade & Purity:

≥97%

Cas Number: 13494-07-0
Molecular Weight: 126.15
EC Number: 236-811-3
MDL number: MFCD00143076
PubChem CID: 61634
PubChem SID: 504753796

In stock

Item Number

D137771

Grouped product items
SKU	Size	Availability	Price
D137771-1g	1g	3	$51.90
D137771-5g	5g	3	$205.90
D137771-25g	25g	2	$583.90
D137771-100g	100g	1	$1,634.90
D137771-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,149.90

Basic Description

Synonyms	3,5-Dimethyl-1,2-cyclopentanedione \| 13494-07-0 \| 3,5-Dimethylcyclopentane-1,2-dione \| 3,5-Dimethyl-1,2-cyclopentadione \| 1,2-Cyclopentanedione, 3,5-dimethyl- \| 8028-89-5 \| Caramel (color) \| Caramel \| DTXSID0047660 \| CARAMEL COLOR A \| starbld0016612 \| Fema3269 \| SCHEMBL873396 \| CH
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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

Pubchem Sid	504753796
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753796
IUPAC Name	3,5-dimethylcyclopentane-1,2-dione
INCHI	InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChIKey	MIDXCONKKJTLDX-UHFFFAOYSA-N
Smiles	CC1CC(C(=O)C1=O)C
Isomeric SMILES	CC1CC(C(=O)C1=O)C
WGK Germany	3
Molecular Weight	126.15
Reaxy-Rn	2205836
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205836&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
G1924001	Certificate of Analysis	May 15, 2023	D137771
I1515046	Certificate of Analysis	May 08, 2023	D137771
F1925064	Certificate of Analysis	Apr 13, 2023	D137771
L2212393	Certificate of Analysis	Dec 16, 2022	D137771

Chemical and Physical Properties

Melt Point(°C)	87-95°C
Molecular Weight	126.150 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.068 Da
Monoisotopic Mass	126.068 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	142.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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