5-Hydroxypentanal - ≥97% , CAS No.4221-03-8

CAS: 4221-03-8 Cat. No.: H193355 Summenformel: C₅H₁₀O₂ Molekulargewicht: 102.13 EG-Nummer: 224-165-5

GRADE & PURITY ≥97%

Synonyms

BCP10790 | DS-13348 | F19841 | SCHEMBL196890 | FT-0620495 | A20414 | EN300-123851 | Q27460635 | 5-Hydroxyvaleraldehyde | CNRGMQRNYAIBTN-UHFFFAOYSA-N | AKOS006229449 | AI3-19935 | Pentanal, 5-hydroxy- | NSC 62080 | NSC62080 | NSC-62080 | MN5U8C2789 | SY047

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BCP10790 | DS-13348 | F19841 | SCHEMBL196890 | FT-0620495 | A20414 | EN300-123851 | Q27460635 | 5-Hydroxyvaleraldehyde | CNRGMQRNYAIBTN-UHFFFAOYSA-N | AKOS006229449 | AI3-19935 | Pentanal, 5-hydroxy- | NSC 62080 | NSC62080 | NSC-62080 | MN5U8C2789 | SY047

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508810051

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810051

Kanonisches Lächeln

C(CCO)CC=O

IUPAC Name

5-hydroxypentanal

InChIKey

CNRGMQRNYAIBTN-UHFFFAOYSA-N

INCHI

1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2

Isomere SMILES

C(CCO)CC=O

Alternative CAS-Nummer

694-54-2

Molekulargewicht

102.13

Reaxy-Rn

1742103

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Short-chain aldehydes Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• 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

• Molekulargewicht: 102.130 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• 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: 43.300
• 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