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

CAS: 17429-02-6 Cat. No.: H637760 分子式: C₇H₁₂O₂ 分子量: 128.17 EC番号: 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

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528760961

カノニカル・スマイル

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

異性体SMILES

CC1(CCC(=O)CC1)O

代替CAS番号

17429-02-6

PubChem CID

28539

分子量

128.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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