3-Cyclohexyl-1-propanol - ≥99% , CAS No.1124-63-6

CAS: 1124-63-6 Cat. No.: C153386 분자식: C₉H₁₈O 분자량: 142.24

등급 & 순도 ≥99%

Synonyms

3-Cyclohexylpropyl alcohol | CHEBI:89951 | J-002782 | Cyclohexylpropyl alcohol | SY011368 | 3-Cyclohexyl-1-propanol, 99% | 3-Cyclohexylpropan-1-ol | EINECS 214-401-5 | InChI=1/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2 | AS-44275 | MFCD00001528 | AI3-364

Storage

Room temperature

Shipped In

Normal

사양

동의어

3-Cyclohexylpropyl alcohol | CHEBI:89951 | J-002782 | Cyclohexylpropyl alcohol | SY011368 | 3-Cyclohexyl-1-propanol, 99% | 3-Cyclohexylpropan-1-ol | EINECS 214-401-5 | InChI=1/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2 | AS-44275 | MFCD00001528 | AI3-364

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488184590

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184590

정식 스마일

C1CCC(CC1)CCCO

IUPAC Name

3-cyclohexylpropan-1-ol

InChIKey

CLYAQFSQLQTVNO-UHFFFAOYSA-N

INCHI

1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2

이성체 SMILES

C1CCC(CC1)CCCO

WGK 독일

3

분자량

142.24

Reaxy-Rn

1920331

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1920331&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water
• 굴절률: 1.47
• 발화점(°F): 215.6 °F
• 발화점(°C): 101°C(lit.)
• 끓는점(°C): 223°C
• 분자량: 142.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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