Bornyl acetate - analytical standard, Moligand™ , CAS No.20347-65-3

CAS: 20347-65-3 Cat. No.: B111386 Fórmula: C₁₂H₂₀O₂ Peso molecular: 196.29 Beilstein Registry Number: 1909308 Número CE: 243-750-6

GRADE & PURITY Analytical standard, Moligand™

Synonyms

BORNYL ACETATE | MN65CC8L89 | Bornyl acetate, (+)- | BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, 2-ACETATE, (1R,2S,4R)- | AC-34967 | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)- | (+)-Bornyl acetate, analytical standard | MFCD00867

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BORNYL ACETATE | MN65CC8L89 | Bornyl acetate, (+)- | BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, 2-ACETATE, (1R,2S,4R)- | AC-34967 | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)- | (+)-Bornyl acetate, analytical standard | MFCD00867

Especificações e pureza

analytical standard, Moligand™

Mecanismos bioquímicos e fisiológicos

(+)-Bornyl acetate is found in pichtae essential oil (Siberian fir needle oil). (+)-Bornyl acetate has a stronger inhibitory effect on root growth of Arabidopsis seedlings.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Analytical standard, Moligand™

Tipo de ação

ACTIVATOR

Nomes e identificadores

• Sorrisos canónicos: CC(=O)OC1CC2CCC1(C2(C)C)C
• IUPAC Name: [(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
• InChIKey: KGEKLUUHTZCSIP-SCVCMEIPSA-N
• INCHI: 1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
• SMILES isoméricas: CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
• WGK Alemanha: 1
• Peso molecular: 196.29
• Beilstein: 1909308
• Reaxy-Rn: 7089642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7089642&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive；Heat sensitive
• Índice de refração: 1.463
• Ponto de inflamação (°F): 185 °F
• Ponto de inflamação (°C): 85 °C
• Peso molecular: 196.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Huanyan Liang, Feifei Lv, Mengting Xian, Chenghua Luo, Lei Zhang, Meihua Yang, Qian Li, Xiangsheng Zhao.  (2025)  Inhibition Mechanism of Cinnamomum burmannii Leaf Essential Oil Against Aspergillus flavus and Aflatoxins.  Foods,  14  (4): (682).  [PMID:40002124] [10.3390/foods14040682]