4-Methyl-1-cyclohexanemethanol (cis- and trans- mixture) - ≥98%(GC) , CAS No.34885-03-5

CAS: 34885-03-5 Cat. No.: M157909 分子式: C₈H₁₆O 分子量: 128.22 Beilstein Registry Number: 6(3)100 EC番号: 609-038-8

GRADE & PURITY ≥98%(GC)

Synonyms

(4-Methylcyclohexyl)methanol, (Z)- | 4-MCHM | 4-Methylcyclohexanemethanol | OSINZLLLLCUKJH-UHFFFAOYSA-N | SB84581 | SCHEMBL155951 | ZB1702 | 4-Methyl-1-cyclohexanemethanol | Calcium pantothenate (VAN) | (trans-4-methylcyclohexyl)methanol | Clindacin Pac |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(4-Methylcyclohexyl)methanol, (Z)- | 4-MCHM | 4-Methylcyclohexanemethanol | OSINZLLLLCUKJH-UHFFFAOYSA-N | SB84581 | SCHEMBL155951 | ZB1702 | 4-Methyl-1-cyclohexanemethanol | Calcium pantothenate (VAN) | (trans-4-methylcyclohexyl)methanol | Clindacin Pac |

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488187567
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488187567
• カノニカル・スマイル: CC1CCC(CC1)CO
• IUPAC Name: (4-methylcyclohexyl)methanol
• InChIKey: OSINZLLLLCUKJH-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3
• 異性体SMILES: CC1CCC(CC1)CO
• 分子量: 128.22
• Beilstein: 6(3)100
• Reaxy-Rn: 3028953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3028953&ln=

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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

• 屈折率: 1.46
• 引火点（°C）: 80 °C
• 分子量: 128.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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