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2-Acetyl-3,5(6)-dimethylpyrazine - 98%， mixture of isomers, high purity , CAS No.54300-08-2

COA

Grade & Purity:

≥98%
mixture of isomers

Cas Number: 54300-08-2
Molecular Weight: 150.18
EC Number: 259-076-0
MDL number: MFCD00055023
PubChem CID: 104721
PubChem SID: 488187368

In stock

Item Number

A135006

Grouped product items
SKU	Size	Availability	Price
A135006-1g	1g	9	$45.90
A135006-5g	5g	9	$176.90
A135006-25g	25g	2	$795.90

Basic Description

Synonyms	2-Acetyl-3,5-dimethylpyrazine \| AKOS015900064 \| Hexane, p.a., 95% \| 1-(3,5-Dimethyl-2-pyrazinyl)ethanone \| 1-(3,5-Dimethyl-2-pyrazinyl)-Ethanone \| Pyrazine, 2-acetyl-3,5-dimethyl \| 1-(3,5-dimethylpyrazin-2-yl)ethan-1-one \| CHEBI:173403 \| MFCD00055023 \| SY
Specifications & Purity	≥98%, mixture of isomers
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Pubchem Sid	488187368
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187368
IUPAC Name	1-(3,5-dimethylpyrazin-2-yl)ethanone
INCHI	InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3
InChIKey	UCGOSAWBWFUKDT-UHFFFAOYSA-N
Smiles	CC1=CN=C(C(=N1)C)C(=O)C
Isomeric SMILES	CC1=CN=C(C(=N1)C)C(=O)C
WGK Germany	3
Molecular Weight	150.18
Reaxy-Rn	638008
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638008&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
E2315370	Certificate of Analysis	Feb 11, 2025	A135006
E2315369	Certificate of Analysis	Feb 11, 2025	A135006
B2304168	Certificate of Analysis	Nov 20, 2024	A135006
B2304171	Certificate of Analysis	Nov 20, 2024	A135006
B2304172	Certificate of Analysis	Nov 20, 2024	A135006

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.52
Flash Point(°F)	195.8 °F
Flash Point(°C)	91 °C
Boil Point(°C)	70 °C/7 mmHg
Molecular Weight	150.180 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	150.079 Da
Monoisotopic Mass	150.079 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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