5-Hydroxy-4-octanone - ≥95% , CAS No.496-77-5

CAS: 496-77-5 Cat. No.: H101582 Formula: C₈H₁₆O₂ Peso molecolare: 144.21 Beilstein Registry Number: 1(4)4042 Numero EC: 207-830-4

QUALITÀ & PUREZZA ≥95%

Synonyms

EINECS 207-830-4 | 5-hydroxy-octan-4-one | 5-Hydroxyoctan-4-one | Butyroin | D88723 | DS-16801 | Z56870765 | Octan-4-ol-5-one | A827795 | 4-Octanone, 5-hydroxy- | Carazolol, analytical standard | 5-Octanol-4-one | Q27292617 | UNII-WG070EDJ4X | 4-hydroxy-5

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifiche

Sinonimi

EINECS 207-830-4 | 5-hydroxy-octan-4-one | 5-Hydroxyoctan-4-one | Butyroin | D88723 | DS-16801 | Z56870765 | Octan-4-ol-5-one | A827795 | 4-Octanone, 5-hydroxy- | Carazolol, analytical standard | 5-Octanol-4-one | Q27292617 | UNII-WG070EDJ4X | 4-hydroxy-5

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

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

488188648

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188648

Sorrisi canonici

CCCC(C(=O)CCC)O

IUPAC Name

5-hydroxyoctan-4-one

InChIKey

BVEYJWQCMOVMAR-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3

Isomeri SMILES

CCCC(C(=O)CCC)O

WGK Germania

3

Peso molecolare

144.21

Beilstein

1(4)4042

Reaxy-Rn

1633999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633999&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Acyloins Alpha-hydroxy ketones Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosaccharide - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• 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

• Indice di rifrazione: 1.4315
• Punto di infiammabilità (°C): 79°C
• Punto di ebollizione (°C): 80-82°C
• Peso molecolare: 144.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1