Leaf acetal - ≥98% , CAS No.28069-74-1

CAS: 28069-74-1 Cat. No.: A114033 Fórmula: C₁₀H₂₀O₂ Peso molecular: 172.26 Número EC: 248-817-3

GRADE & PURITY ≥98%

Synonyms

EINECS 248-817-3 | 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- | Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)- | Ethyl cis-3-hexenyl acetal acetaldehyde | DTXSID7059692 | Phenethyl isovalerate (natural) | 1, N,N'-bis(phenylmethyl)- | (3Z)-1-(1-Ethoxyethoxy)-3-hexene

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 248-817-3 | 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- | Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)- | Ethyl cis-3-hexenyl acetal acetaldehyde | DTXSID7059692 | Phenethyl isovalerate (natural) | 1, N,N'-bis(phenylmethyl)- | (3Z)-1-(1-Ethoxyethoxy)-3-hexene

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC=CCCOC(C)OCC
• IUPAC Name: (Z)-1-(1-ethoxyethoxy)hex-3-ene
• InChIKey: PAEBAEDUARAOSG-SREVYHEPSA-N
• INCHI: 1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
• Isómeros SMILES: CC/C=C\CCOC(C)OCC
• RTECS: MP6795000
• Peso molecular: 172.26
• Reaxy-Rn: 35572139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35572139&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
• Índice de refracción: 1.42
• Punto de inflamación (°F): 70 °C
• Punto de inflamación (°C): 70°C
• Peso molecular: 172.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28069-74-1, the molecular formula is C10H20O2, and the molecular weight is 172.26 g/mol. InChIKey PAEBAEDUARAOSG-SREVYHEPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.