1,1-Cyclobutanedimethanol - ≥95% , CAS No.4415-73-0

CAS: 4415-73-0 Cat. No.: C170374 Formula: C₆H₁₂O₂ Peso molecolare: 116.16 Numero EC: 803-837-7

GRADE & PURITY ≥95%

Synonyms

SB22332 | F2147-1905 | BB 0221112 | 1,1-Cyclobutanedimethanol, AldrichCPR | AKOS006274743 | 1,1-Cyclobutanedimethanol | DTXSID30403722 | 1,1-Cyclobutanediyldimethanol | AMY37376 | [1-(hydroxymethyl)cyclobutyl]methanol | cyclobutane-1,1-diyldimethanol | AS

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

SB22332 | F2147-1905 | BB 0221112 | 1,1-Cyclobutanedimethanol, AldrichCPR | AKOS006274743 | 1,1-Cyclobutanedimethanol | DTXSID30403722 | 1,1-Cyclobutanediyldimethanol | AMY37376 | [1-(hydroxymethyl)cyclobutyl]methanol | cyclobutane-1,1-diyldimethanol | AS

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504763040
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763040
• Sorrisi canonici: C1CC(C1)(CO)CO
• IUPAC Name: [1-(hydroxymethyl)cyclobutyl]methanol
• InChIKey: AEBIBBWVNCPTNL-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2
• Isomeri SMILES: C1CC(C1)(CO)CO
• Peso molecolare: 116.16
• Reaxy-Rn: 1919878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1919878&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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 116.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.600
• 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