Propylene carbonate - Ultra dry, ≥99.5%, water≤20 ppm , CAS No.108-32-7

CAS: 108-32-7 Cat. No.: P1521116 Formula: C₄H₆O₃ Peso molecolare: 102.09 Beilstein Registry Number: 107913 Numero EC: 203-572-1

GRADE & PURITY Ultra dry, ≥99.5%, water≤20 ppm

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Specifiche e purezza

Ultra dry, ≥99.5%, water≤20 ppm

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Grado

Ultra dry

Purezza

≥99.5%

Nomi e identificatori

Sorrisi canonici

CC1COC(=O)O1

IUPAC Name

4-methyl-1,3-dioxolan-2-one

InChIKey

RUOJZAUFBMNUDX-UHFFFAOYSA-N

INCHI

1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

Isomeri SMILES

CC1COC(=O)O1

WGK Germania

1

RTECS

FF9650000

Peso molecolare

102.09

Beilstein

107913

Reaxy-Rn

107913

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, miscible with acetone, ether, benzene, chloroform, and ethyl acetate.
• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.42-1.422
• Punto di infiammabilità (°F): 269.6℉
• Punto di infiammabilità (°C): 132℃
• Punto di ebollizione (°C): 242°C
• Punto di fusione (°C): -48°C
• Peso molecolare: 102.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• 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