2,2-Dimethylcyclohexanone - ≥92% , CAS No.1193-47-1

CAS: 1193-47-1 Cat. No.: D166342 Peso molecular: 126.2 Número EC: 626-402-1
Disponible para pedir
GRADE & PURITY ≥92%
Synonyms
BS-13175 | Cyclohexanone,2-dimethyl- | FT-0633452 | 2,2-Dimethylcyclohexanone | 2,2-dimethyl-cyclohexanone | DTXSID30870859 | EINECS 215-589-1 | NSC 20553 | 2,2-Dimethyl cyclohexan-1-one | AB92712 | 2,2-dimethyl-cyclohexan-1-one | 2,2-dimethylcyclohexan-1
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
D166342-250mg
4
133,90US$
1g
D166342-1g
2
379,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥92% 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.

Descripción general

2,2-Dimethylcyclohexanone is a sterically hindered ketone. Mg-TiCl4-catalyzed CH2-transfer reaction of 2,2-dimethylcyclohexanone with CH2Cl2 is reported.

Application:

2,2-Dimethylcyclohexanone may be used in the preparation of 6,6-dimethyl-1-vinylcyclohexene.

Specifications

Sinónimos
BS-13175 | Cyclohexanone, 2-dimethyl- | FT-0633452 | 2, 2-Dimethylcyclohexanone | 2, 2-dimethyl-cyclohexanone | DTXSID30870859 | EINECS 215-589-1 | NSC 20553 | 2, 2-Dimethyl cyclohexan-1-one | AB92712 | 2, 2-dimethyl-cyclohexan-1-one | 2, 2-dimethylcyclohexan-1
Especificaciones y pureza
≥92%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥92%
Nombres e identificadores
Pubchem Sid504757101
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757101
Sonrisas canónicasCC1(CCCCC1=O)C
IUPAC Name2,2-dimethylcyclohexan-1-one
InChIKeyKNSPBSQWRKKAPI-UHFFFAOYSA-N
INCHI1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
Isómeros SMILES CC1(CCCCC1=O)C
WGK Alemania 3
Peso molecular 126.2
Reaxy-Rn 1905142
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905142&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





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 NumberCertificate TypeFechaArticulo
C2419021Certificate of AnalysisMar 05, 2024 D166342
C2419022Certificate of AnalysisMar 05, 2024 D166342
F2320020Certificate of AnalysisSep 15, 2022 D166342
J2211974Certificate of AnalysisSep 15, 2022 D166342
J2211975Certificate of AnalysisSep 15, 2022 D166342
J2211976Certificate of AnalysisSep 15, 2022 D166342
Propiedades químicas y físicas
Punto de inflamación (°F)122 °F
Punto de inflamación (°C)50 °C
Punto de ebullición (°C)169-170°C/768mmHg
Punto de fusión (°C)-20 °C
Peso molecular126.200 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass126.104 Da
Monoisotopic Mass126.104 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity125.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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