1-Cyclopropylethanol - ≥98% , CAS No.765-42-4

CAS: 765-42-4 Cat. No.: C153900 Formule: C₅H₁₀O Poids moléculaire: 86.13 Numéro CE: 212-145-9

QUALITÉ & PURETÉ ≥98%

Synonyms

1-cyclopropylethan-1-ol | MFCD00043921 | 1-Cyclopropylethanol, 99% | AKOS000249010 | Cyclopropanemethanol, .alpha.-methyl- | a-methylcyclopropane methanol | EINECS 212-145-9 | FT-0607685 | 1-Cyclopropylethanol | STK328112 | AM804334 | a-methylcyclopropane

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

1-cyclopropylethan-1-ol | MFCD00043921 | 1-Cyclopropylethanol, 99% | AKOS000249010 | Cyclopropanemethanol, .alpha.-methyl- | a-methylcyclopropane methanol | EINECS 212-145-9 | FT-0607685 | 1-Cyclopropylethanol | STK328112 | AM804334 | a-methylcyclopropane

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755345

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755345

Sourires canoniques

CC(C1CC1)O

IUPAC Name

1-cyclopropylethanol

InChIKey

DKKVKJZXOBFLRY-UHFFFAOYSA-N

INCHI

1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3

Isomères SMILES

CC(C1CC1)O

WGK Allemagne

3

Numéro ONU

1987

Groupe d'emballage

III

Poids moléculaire

86.13

Reaxy-Rn

1839704

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1839704&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4290 to 1.4320
• Point d'éclair (°F): 98.6 °F
• Point d'éclair (°C): 31°C
• Point d'ébullition (°C): 122°C
• Poids moléculaire: 86.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 47.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1