Hydroxyacetone - ≥90% , CAS No.116-09-6

CAS: 116-09-6 Cat. No.: H111149 Peso molecular: 74.08 Beilstein Registry Number: 605368 Número EC: 204-124-8

GRADE & PURITY ≥90%

Synonyms

hydroxypropan-2-one | 2-oxopropyl alcohol | A803556 | Hydroxyacetone, contains <=500 ppm sodium carbonate as stabilizer, technical grade, 90% | C05235 | CH3C(O)CH2OH | HY-Y1366 | J-003383 | NSC102497 | Q20236702 | F0001-0286 | XLSMFKSTNGKWQX-UHFFFAOYSA- |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Hydroxyacetone (Acetol) is important for the manufacture of polyols, acrolein, dyes and skin tanning agents. It undergoes asymmetric reduction to yield (R)-1,2-propanediol in the presence of microbial cell catalyst

Specifications

Sinónimos

hydroxypropan-2-one | 2-oxopropyl alcohol | A803556 | Hydroxyacetone, contains <=500 ppm sodium carbonate as stabilizer, technical grade, 90% | C05235 | CH3C(O)CH2OH | HY-Y1366 | J-003383 | NSC102497 | Q20236702 | F0001-0286 | XLSMFKSTNGKWQX-UHFFFAOYSA- |

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504751641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751641
• Sonrisas canónicas: CC(=O)CO
• IUPAC Name: 1-hydroxypropan-2-one
• InChIKey: XLSMFKSTNGKWQX-UHFFFAOYSA-N
• INCHI: 1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
• Isómeros SMILES: CC(=O)CO
• WGK Alemania: 1
• RTECS: UC2800000
• Número ONU: 1224
• Peso molecular: 74.08
• Beilstein: 605368
• Reaxy-Rn: 605368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-hydroxy ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-hydroxy ketones
• Alternative Parents: Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha-hydroxy ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the alpha carbon atom, relative to the C=O group.
• External Descriptors: a small molecule

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

Propiedades químicas y físicas

• Solubilidad: Miscible with water, alcohol and ether.
• Sensibilidad: Air & Moisture & heat Sensitive.
• Índice de refracción: 1.425
• Punto de inflamación (°F): 132.8 °F
• Punto de inflamación (°C): 56 °C
• Punto de ebullición (°C): 145-146°C
• Punto de fusión (°C): -17°C
• Peso molecular: 74.080 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 40.200
• 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

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