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

CAS: 39590-81-3 Cat. No.: B303643 Summenformel: C₅H₁₀O₂ Molekulargewicht: 102.13 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488194693

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194693

Kanonisches Lächeln

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

Isomere SMILES

C1CC1(CO)CO

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.47
• Flammpunkt (°C): 110\xa0°C
• Siedepunkt (°C): 235-236
• Molekulargewicht: 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