Farnesylacetone - ≥97%, stabilized with BHT,mixture of isomers , CAS No.762-29-8

CAS: 762-29-8 Cat. No.: F136033 Fórmula: C₁₈H₃₀O Peso molecular: 262.43 Beilstein Registry Number: 1781239 Número CE: 212-097-9

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

Synonyms

SY249655 | Farnesylacetone | AKOS025244014 | SCHEMBL157419 | FT-0773962 | 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one | 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one

Storage

Room temperature

Shipped In

Normal

Visão geral

application：

Farnesalacetone is an intermediate in the synthesis of intermediates in the biosynthesis of carotenoids.

Specifications

Sinónimos

SY249655 | Farnesylacetone | AKOS025244014 | SCHEMBL157419 | FT-0773962 | 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one | 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one

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

488183459

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183459

Sorrisos canónicos

CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

IUPAC Name

6,10,14-trimethylpentadeca-5,9,13-trien-2-one

InChIKey

LTUMRKDLVGQMJU-UHFFFAOYSA-N

INCHI

1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3

SMILES isoméricas

CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

Peso molecular

262.43

Beilstein

1781239

Reaxy-Rn

1781239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781239&ln=

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: Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic diterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: a terpenoid derivative

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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Índice de refração: 1.481
• Ponto de inflamação (°F): 230°F
• Ponto de inflamação (°C): >110℃
• Peso molecular: 262.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 262.23 Da
• Monoisotopic Mass: 262.23 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 2
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1