Phytol - ≥97%, stabilized with BHT,mixture of isomers , CAS No.7541-49-3

CAS: 7541-49-3 Cat. No.: P171274 Fórmula: CH₃[CH(CH₃)(CH₂)₃]₃C(CH₃)=CHCH₂OH Peso molecular: 296.53 Beilstein Registry Number: 1726100 Número CE: 616-221-6 PubChem CID: 5366244

GRADE & PURITY ≥97%, stabilized with BHT,mixture of isomers

Synonyms

LS-14831 | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)- | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (mixture of isomers) | Z56347285 | 2,2'-((2-((carboxymethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetic acid | (E)-3,7,11,15-tetramethylhexadec-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LS-14831 | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)- | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (mixture of isomers) | Z56347285 | 2,2'-((2-((carboxymethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetic acid | (E)-3,7,11,15-tetramethylhexadec-2-

Especificações e pureza

≥97%, stabilized with BHT,mixture of isomers

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488195463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195463
• Sorrisos canónicos: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
• IUPAC Name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
• InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
• INCHI: 1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
• SMILES isoméricas: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO)/C
• WGK Alemanha: 1
• PubChem CID: 5366244
• Peso molecular: 296.53
• Beilstein: 1726100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic diterpenoids
• Alternative Parents: Long-chain fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic diterpenoid - Long chain fatty alcohol - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
• 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

Alvos associados (humanos)

MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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KB (17409 Activities)

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Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20/D 1.463 (lit.)
• Ponto de ebulição (°C): 202-204 °C/10 mmHg (lit.)
• Peso molecular: 296.500 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 296.308 Da
• Monoisotopic Mass: 296.308 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referências

1. Liping Du, Chao Wang, Chenxia Zhang, Lijuan Ma, Yongquan Xu, Dongguang Xiao.  (2019)  Characterization of the volatile and sensory profile of instant Pu-erh tea using GC × GC-TOFMS and descriptive sensory analysis.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2019.02.036]