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Methylionone (mixture of α- and β-, predominantly α-n-isomer) - ≥80%(GC) , CAS No.7779-30-8

Methylionone (mixture of α- and β-, predominantly α-n-isomer) - ≥80%(GC) , CAS No.7779-30-8

Name: Methylionone (mixture of α- and β-, predominantly α-n-isomer) - ≥80%(GC) , CAS No.7779-30-8
Brand: Aladdin Scientific
SKU: M158423
Availability: InStock

CAS: 7779-30-8 Cat. No.: M158423 Peso molecular: 206.33 Beilstein Registry Number: 7(2)140 Número EC: 231-926-5

COA

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Methylionone (mixture of α- and β-, predominantly α-n-isomer) - ≥80%(GC) CAS No(7779-30-8) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥80%(GC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

≥80%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

≥80%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥80%(GC)

Nombres e identificadores

Pubchem Sid	488195489
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195489
Sonrisas canónicas	CCC(=O)C=CC1C(=CCCC1(C)C)C
IUPAC Name	(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
InChIKey	VPKMGDRERYMTJX-CMDGGOBGSA-N
INCHI	1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
Isómeros SMILES	CCC(=O)/C=C/C1C(=CCCC1(C)C)C
Peso molecular	206.33
Beilstein	7(2)140
Reaxy-Rn	11327479
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11327479&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Clase Prenol lipids
    - Subclass Sesquiterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Prenol lipids
Subclass	Sesquiterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Sesquiterpenoids
Alternative Parents	Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclofarsesane sesquiterpenoid - Megastigmane sesquiterpenoid - Sesquiterpenoid - Ionone derivative - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
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

Estructura 3D

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

6 results found

Lot Number	Certificate Type	Fecha	Articulo
B2225148	Certificate of Analysis	Dec 10, 2025	M158423
B2224489	Certificate of Analysis	Dec 10, 2025	M158423
B2224493	Certificate of Analysis	Dec 10, 2025	M158423
B2207461	Certificate of Analysis	Oct 30, 2025	M158423
B2207559	Certificate of Analysis	Jan 14, 2022	M158423
B2207558	Certificate of Analysis	Jan 11, 2022	M158423

Propiedades químicas y físicas

Índice de refracción	1.5
Punto de inflamación (°F)	142°C(lit.)
Punto de inflamación (°C)	142°C(lit.)
Peso molecular	206.320 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	206.167 Da
Monoisotopic Mass	206.167 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	294.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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