1,1-Bis(hydroxymethyl)cyclopropane - ≥98% , CAS No.39590-81-3

CAS: 39590-81-3 Cat. No.: B303643 Peso molecular: 102.13 Número EC: 609-723-1

GRADE & PURITY ≥98%

Synonyms

1,1-dihydroxymethylcyclopropane | (1-Hydroxymethylcyclopropyl)Methanol | (1-Hydroxymethyl-cyclopropyl)-methanol | Cyclopropanedimethanol | J-503724 | AKOS015900609 | BETA-NICOTINAMIDEADENINEDINUCLEOTIDEPHOSPHATESODIUMSALT | 1,1-cyclopropane dimethanol | E

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1, 1-dihydroxymethylcyclopropane | (1-Hydroxymethylcyclopropyl)Methanol | (1-Hydroxymethyl-cyclopropyl)-methanol | Cyclopropanedimethanol | J-503724 | AKOS015900609 | BETA-NICOTINAMIDEADENINEDINUCLEOTIDEPHOSPHATESODIUMSALT | 1, 1-cyclopropane dimethanol | E

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194693
• Sonrisas canónicas: C1CC1(CO)CO
• IUPAC Name: [1-(hydroxymethyl)cyclopropyl]methanol
• InChIKey: YAINYZJQSQEGND-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2
• Isómeros SMILES: C1CC1(CO)CO
• Peso molecular: 102.13
• Reaxy-Rn: 1340552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340552&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.47
• Punto de inflamación (°C): 110\xa0°C
• Punto de ebullición (°C): 235-236
• Peso molecular: 102.130 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.500
• 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