3-Methyl-5-hexen-3-ol - ≥98% , CAS No.1569-44-4

CAS: 1569-44-4 Cat. No.: M167589 Fórmula: C₇H₁₄O Peso molecular: 114.19 Número EC: 620-784-3

GRADE & PURITY ≥98%

Synonyms

3-Methyl-5-hexen-3-ol, 98% | MFCD00021826 | AI3-28625 | AKOS015916670 | Methylethylallylcarbinol | SCHEMBL336188 | SB84475 | 3-Methyl-5-hexen-3-ol | J-009358 | Methylaethylallylcarbinol [German] | FT-0694654 | 5-HEXEN-3-OL, 3-METHYL- | 3-methylhex-5-en-3-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Methyl-5-hexen-3-ol, 98% | MFCD00021826 | AI3-28625 | AKOS015916670 | Methylethylallylcarbinol | SCHEMBL336188 | SB84475 | 3-Methyl-5-hexen-3-ol | J-009358 | Methylaethylallylcarbinol [German] | FT-0694654 | 5-HEXEN-3-OL, 3-METHYL- | 3-methylhex-5-en-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCC(C)(CC=C)O

IUPAC Name

3-methylhex-5-en-3-ol

InChIKey

GBARKLJMQRUBKV-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-4-6-7(3,8)5-2/h4,8H,1,5-6H2,2-3H3

Isómeros SMILES

CCC(C)(CC=C)O

WGK Alemania

3

RTECS

MP8599000

Peso molecular

114.19

Reaxy-Rn

1699173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699173&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Punto de inflamación (°F): 109.4 °F
• Punto de inflamación (°C): 43 °C
• Peso molecular: 114.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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

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 1569-44-4, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey GBARKLJMQRUBKV-UHFFFAOYSA-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.