Methyl trans-4-Hydroxycyclohexanecarboxylate - ≥98%(GC) , CAS No.6125-57-1

CAS: 6125-57-1 Cat. No.: M157903 Formula: C₈H₁₄O₃ Peso molecolare: 158.2 Beilstein Registry Number: 10(3)18 Numero EC: 865-939-8

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

DTXSID70169830 | M1991 | trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester | cis-methyl 4-hydroxycyclohexanecarboxylate | SB11017 | AMY34207 | trans-Methyl 4-hydroxycyclohexanecarboxylate | cis-methyl4-hydroxycyclohexanecarboxylate | AM9680 | MFCD00

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID70169830 | M1991 | trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester | cis-methyl 4-hydroxycyclohexanecarboxylate | SB11017 | AMY34207 | trans-Methyl 4-hydroxycyclohexanecarboxylate | cis-methyl4-hydroxycyclohexanecarboxylate | AM9680 | MFCD00

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488186394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186394

Sorrisi canonici

COC(=O)C1CCC(CC1)O

IUPAC Name

methyl 4-hydroxycyclohexane-1-carboxylate

InChIKey

HYDYVXROZHFTGB-UHFFFAOYSA-N

INCHI

1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3

Isomeri SMILES

COC(=O)C1CCC(CC1)O

Peso molecolare

158.2

Beilstein

10(3)18

Reaxy-Rn

2690317

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Methyl esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Methyl ester - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.47
• Punto di ebollizione (°C): 125°C/0.3mmHg(lit.)
• Peso molecolare: 158.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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