Fumaraldehyde Bis(dimethyl Acetal) - ≥90%(GC) , CAS No.6068-62-8

CAS: 6068-62-8 Cat. No.: F156767 Peso molecular: 176.21 Beilstein Registry Number: 1723350 Número EC: 626-693-5

GRADE & PURITY ≥90%(GC)

Synonyms

1,1,4,4-Tetramethoxy-trans-2-butene | MFCD00075507 | (2E)-1,1,4,4-tetramethoxybut-2-ene | starbld0003038 | Fumaraldehyde bis(dimethyl acetal) | DTXSID70421182 | SCHEMBL1679775 | F0329 | SCHEMBL3989087 | AKOS015913624 | LS-13522 | Fumaraldehyde bis(dimethy

Storage

Room temperature

Shipped In

Normal

Descripción general

Fumaraldehyde bis(dimethyl acetal) may be used in the syntheses of C20-carotene and crocetin or descrocetin esters. It may be used in the preparation of fumaraldehyde dimethylacetal, (FDMA), by partial acid hydrolysis.

Specifications

Sinónimos

1, 1, 4, 4-Tetramethoxy-trans-2-butene | MFCD00075507 | (2E)-1, 1, 4, 4-tetramethoxybut-2-ene | starbld0003038 | Fumaraldehyde bis(dimethyl acetal) | DTXSID70421182 | SCHEMBL1679775 | F0329 | SCHEMBL3989087 | AKOS015913624 | LS-13522 | Fumaraldehyde bis(dimethy

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504763973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763973
• Sonrisas canónicas: COC(C=CC(OC)OC)OC
• IUPAC Name: (E)-1,1,4,4-tetramethoxybut-2-ene
• InChIKey: ZFGVCDSFRAMNMT-AATRIKPKSA-N
• INCHI: 1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3/b6-5+
• Isómeros SMILES: COC(/C=C/C(OC)OC)OC
• WGK Alemania: 3
• Peso molecular: 176.21
• Beilstein: 1723350
• Reaxy-Rn: 1767549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Moisture Sensitive
• Índice de refracción: 1.428
• Punto de inflamación (°F): 176 °F
• Punto de inflamación (°C): 80 °C
• Punto de ebullición (°C): 100-103 °C/15 mmHg
• Peso molecular: 176.210 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1