Bornyl acetate - ≥97%, mixture of isomers , CAS No.76-49-3

CAS: 76-49-3 Cat. No.: B304575 Fórmula: C₁₂H₂₀O₂ Peso molecular: 196.29 Número EC: 200-964-4

GRADE & PURITY ≥97%, mixture of isomers

Synonyms

(-)-BORNYL ACETATE (CONSTITUENT OF MYRRH) [DSC] | s3893 | SCHEMBL132358 | UNII-5WOP02RM1U | (-)-Bornyl acetate, 95% | 1S-endo-Bornyl acetate; l-Bornyl acetate; levo-Bornyl acetate | DTXCID5030799 | DTXSID3052228 | BORNEOL ACETATE, (-)- | DTXSID7041675 | E

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Bornyl acetate (Isobornyl, Bornyl acetic ether, 2-Camphanol), the main volatile constituent in numerous conifer oils and some Chinese traditional herbs, exhibits anti-inflammatory property and it is used as an analgesic.

Specifications

Sinónimos

(-)-BORNYL ACETATE (CONSTITUENT OF MYRRH) [DSC] | s3893 | SCHEMBL132358 | UNII-5WOP02RM1U | (-)-Bornyl acetate, 95% | 1S-endo-Bornyl acetate; l-Bornyl acetate; levo-Bornyl acetate | DTXCID5030799 | DTXSID3052228 | BORNEOL ACETATE, (-)- | DTXSID7041675 | E

Especificaciones y pureza

≥97%, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186756
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186756
• Sonrisas canónicas: CC(=O)OC1CC2CCC1(C2(C)C)C
• IUPAC Name: [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
• InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-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+/m0/s1
• Isómeros SMILES: CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C
• Peso molecular: 196.29
• 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

• Punto de ebullición (°C): 228-231ºC
• Punto de fusión (°C): 27ºC
• 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]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 76-49-3, the molecular formula is C12H20O2, and the molecular weight is 196.29 g/mol. InChIKey KGEKLUUHTZCSIP-HOSYDEDBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.