1,3-Propanediol - ≥98% , CAS No.504-63-2

CAS: 504-63-2 Cat. No.: P108208 Summenformel: C₃H₈O₂ Molekulargewicht: 76.09 Beilstein Registry Number: 969155 EG-Nummer: 207-997-3

QUALITÄT & REINHEIT ≥98%

Synonyms

2-Deoxyglycerol | .beta.-Propylene glycol | beta-Propylene glycol | 1,3-Propylene glycol | Propane-1,3-diol | omega-Propanediol | 1,3-Dihydroxypropane | 2-(Hydroxymethyl)ethanol | Trimethylene glycol | 1,3-Propylenediol

Storage

Room temperature,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

2-Deoxyglycerol | .beta.-Propylene glycol | beta-Propylene glycol | 1,3-Propylene glycol | Propane-1,3-diol | omega-Propanediol | 1,3-Dihydroxypropane | 2-(Hydroxymethyl)ethanol | Trimethylene glycol | 1,3-Propylenediol

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751948

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751948

Kanonisches Lächeln

C(CO)CO

IUPAC Name

propane-1,3-diol

InChIKey

YPFDHNVEDLHUCE-UHFFFAOYSA-N

INCHI

1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

Isomere SMILES

C(CO)CO

WGK Deutschland

1

RTECS

TY2010000

Molekulargewicht

76.09

Beilstein

969155

Reaxy-Rn

969155

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Beschreibung: 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water and alcohol.
• Brechungsindex: 1.44
• Flammpunkt (°F): 165 °F
• Flammpunkt (°C): 74 °C
• Siedepunkt (°C): 214°C
• Schmelzpunkt (°C): -27°C
• Molekulargewicht: 76.090 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 76.0524 Da
• Monoisotopic Mass: 76.0524 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• 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