2-(p-Tolyl)cyclohexanone - ≥95% , CAS No.52776-14-4

CAS: 52776-14-4 Cat. No.: P991212 Formule: C13H16O Poids moléculaire: 188.260
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Storage
Room temperature
★
Size
Allemagne (EU)
USA*
Price
Qty
1g
P991212-1g
Sur commande · 8–12 semaines
557,87€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Spécifications et pureté
≥95%
Conditions de stockage de stockage
Room temperature
Pureté
≥95%
Noms et identifiants
Sourires canoniquesCC1=CC=C(C=C1)C2CCCCC2=O
IUPAC Name2-(4-methylphenyl)cyclohexan-1-one
InChIKeyFDTZSXIAYAGOMF-UHFFFAOYSA-N
INCHI1S/C13H16O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9,12H,2-5H2,1H3
Poids moléculaire 188.260

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
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Cyclic ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire188.260 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass188.12 Da
Monoisotopic Mass188.12 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity201.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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