3-Hydroxy-2,2-dimethylpropanal - ≥97%, mixture of polymers , CAS No.597-31-9

CAS: 597-31-9 Cat. No.: H304097 Formule: C₅H₁₀O₂ Poids moléculaire: 102.13 Numéro CE: 209-895-4

GRADE & PURITY ≥97%, mixture of polymers

Synonyms

3-Hydroxy-2,2-dimethylpropanal|597-31-9|Hydroxypivaldehyde|Pentaldol|Hydroxypivalaldehyde|Propanal, 3-hydroxy-2,2-dimethyl-|Pentaaldol|2,2-Dimethyl-3-hydroxypropionaldehyde|3-Hydroxypivalaldehyde|2,2-Dimethyl-3-hydroxypropanal|Hydracrylaldehyde, 2,2-dimet

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

3-Hydroxy-2,2-dimethylpropanal | 597-31-9 | Hydroxypivaldehyde | Pentaldol | Hydroxypivalaldehyde | Propanal, 3-hydroxy-2,2-dimethyl- | Pentaaldol | 2,2-Dimethyl-3-hydroxypropionaldehyde | 3-Hydroxypivalaldehyde | 2,2-Dimethyl-3-hydroxypropanal | Hydracrylaldehyde, 2,2-dimet

Spécifications et pureté

≥97%, mixture of polymers

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504752179
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752179
• Sourires canoniques: CC(C)(CO)C=O
• IUPAC Name: 3-hydroxy-2,2-dimethylpropanal
• InChIKey: JJMOMMLADQPZNY-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
• Isomères SMILES: CC(C)(CO)C=O
• Poids moléculaire: 102.13
• Reaxy-Rn: 1361855
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361855&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Short-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Short-chain aldehydes
• Alternative Parents: Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms.
• 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

• Solubilité: Chloroform (Slightly), DMSO, Methanol (Slightly), Water (Slightly)
• Point d'éclair (°C): 60.3°C
• Point d'ébullition (°C): 60.3°C
• Point de fusion (°C): 102-105°C
• Poids moléculaire: 102.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 66.500
• 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