4-Hydroxy-4-methylcyclohexanone - ≥97% , CAS No.17429-02-6

CAS: 17429-02-6 Cat. No.: H637760 Summenformel: C₇H₁₂O₂ Molekulargewicht: 128.17 EG-Nummer: 819-781-1 PubChem CID: 28539

GRADE & PURITY ≥97%

Synonyms

SCHEMBL607485 | 4-hydroxy-4-methylcyclohexan-1-one | SB84304 | A929640 | AKOS014316355 | MFCD13659404 | 4-Hydroxy-4-methylcyclohexanone | 4-hydroxy-4-methyl-cyclohexanone | AS-47438 | F13738 | Cyclohexanone, 4-hydroxy-4-methyl- | EN300-137571 | 4-Methyl-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL607485 | 4-hydroxy-4-methylcyclohexan-1-one | SB84304 | A929640 | AKOS014316355 | MFCD13659404 | 4-Hydroxy-4-methylcyclohexanone | 4-hydroxy-4-methyl-cyclohexanone | AS-47438 | F13738 | Cyclohexanone, 4-hydroxy-4-methyl- | EN300-137571 | 4-Methyl-4

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760961

Kanonisches Lächeln

CC1(CCC(=O)CC1)O

IUPAC Name

4-hydroxy-4-methylcyclohexan-1-one

InChIKey

MACNVPBGMHPCML-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3

Isomere SMILES

CC1(CCC(=O)CC1)O

Alternative CAS-Nummer

17429-02-6

PubChem CID

28539

Molekulargewicht

128.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 128.169 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 119.000
• 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