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

CAS: 20347-65-3 Cat. No.: B111386 Formule: C₁₂H₂₀O₂ Poids moléculaire: 196.29 Beilstein Registry Number: 1909308 Numéro 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

Synonymes

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

Spécifications et pureté

analytical standard, Moligand™

Mécanismes biochimiques et physiologiques

(+)-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.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard, Moligand™

Type d'action

ACTIVATOR

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C

WGK Allemagne

1

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Heat sensitive
• Indice de réfraction: 1.463
• Point d'éclair (°F): 185 °F
• Point d'éclair (°C): 85 °C
• Poids moléculaire: 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