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

CAS: 20347-65-3 Cat. No.: B111386 Peso molecular: 196.29 Beilstein Registry Number: 1909308 Número EC: 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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

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

Especificaciones y pureza

analytical standard, Moligand™

Mecanismos bioquímicos y 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.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard, Moligand™

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
• WGK Alemania: 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
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Heat sensitive
• Índice de refracción: 1.463
• Punto de inflamación (°F): 185 °F
• Punto de inflamación (°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

Referencias

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]