α-Amylcinnamylalkohol - ≥95% , CAS No.101-85-9

CAS: 101-85-9 Cat. No.: A346547 Summenformel: C₁₄H₂₀O Molekulargewicht: 204.31 EG-Nummer: 202-982-8

QUALITÄT & REINHEIT ≥95%

Synonyms

2-Pentyl-3-phenylprop-2-en-1-ol | 2-Benzylidenheptan-1-ol | alpha-Amylcinnamylalkohol | (2Z)-2-Benzylidenheptan-1-ol

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Shipped In

Nasses Eis

Spezifikationen

Synonyme

2-Pentyl-3-phenylprop-2-en-1-ol | 2-Benzylidenheptan-1-ol | alpha-Amylcinnamylalkohol | (2Z)-2-Benzylidenheptan-1-ol

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528768790

Kanonisches Lächeln

CCCCCC(=CC1=CC=CC=C1)CO

IUPAC Name

(2Z)-2-benzylideneheptan-1-ol

InChIKey

LIPHCKNQPJXUQF-KAMYIIQDSA-N

INCHI

1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-

Isomere SMILES

CCCCC/C(=C/C1=CC=CC=C1)/CO

Molekulargewicht

204.31

Reaxy-Rn

22633927

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22633927&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamyl alcohols

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamyl alcohols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamyl alcohols
• Alternative Parents: Fatty alcohols Benzene and substituted derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamyl alcohol - Fatty alcohol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive;Air sensitive
• Molekulargewicht: 204.310 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 204.151 Da
• Monoisotopic Mass: 204.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• 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