(-)-Verbenone - ≥95%(GC) , CAS No.1196-01-6

CAS: 1196-01-6 Cat. No.: V162981 Peso molecular: 150.22 Número EC: 214-807-2 PubChem CID: 92874

GRADE & PURITY ≥95%(GC)

Synonyms

LEVOVERBENONE [WHO-DD] | trans-Lutein | DTXCID7015620 | (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid | D92784 | Verbenone, (-)- | (1S)-(-)-Verbenone, >=93% | Z1123686398 | (1S)-(-)-Verbenone | AS-70360 | NCGC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

LEVOVERBENONE [WHO-DD] | trans-Lutein | DTXCID7015620 | (2E, 4E, 6E, 8E, 10E, 12E, 14E)-2, 6, 11, 15-tetramethylhexadeca-2, 4, 6, 8, 10, 12, 14-heptaenedioic acid | D92784 | Verbenone, (-)- | (1S)-(-)-Verbenone, >=93% | Z1123686398 | (1S)-(-)-Verbenone | AS-70360 | NCGC

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488186736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186736
• Sonrisas canónicas: CC1=CC(=O)C2CC1C2(C)C
• IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
• InChIKey: DCSCXTJOXBUFGB-JGVFFNPUSA-N
• INCHI: 1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
• Isómeros SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
• WGK Alemania: 3
• PubChem CID: 92874
• Peso molecular: 150.22
• Reaxy-Rn: 1562790

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: Cyclohexenones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Cyclohexenone - Ketone - 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: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.5
• Rotación específica [α]: -150° to -250°(C=4, CHCl3)
• Punto de inflamación (°F): 185 °F
• Punto de inflamación (°C): 109°C
• Punto de ebullición (°C): 227-228 °C
• Peso molecular: 150.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 248.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Hongyun Wang, Haijun Cheng, Fang Lai, Deyuan Xiong.  (2022)  CuAPO-5 as a Multiphase Catalyst for Synthesis of Verbenone from α-Pinene.  Materials,  15  (22): (8097).  [PMID:36431582] [10.3390/ma15228097]

2. Qianhao Pan, Jiaxing Fang, Shiming Zhang, Yonglin He, Yapei Wang.  (2022)  Biorhythm paralleled release of pheromone by photothermal conversion for Long-term bark beetle control.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.135933]

3. Zheng Chengyu, Zhou Qinan, Wang Zhenhe, Wang Jun.  (2021)  Behavioral responses of Platycladus orientalis plant volatiles to Phloeosinus aubei by GC-MS and HS-GC-IMS for discrimination of different invasive severity.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  413  (23): (5789-5798).  [PMID:34322736] [10.1007/s00216-021-03556-5]

4. Xiaoming Zeng, Hao He, Liejiang Yuan, Haizhi Wu, Cong Zhou.  (2024)  Determination of 24 Trace Aromatic Substances in Rosemary Hydrosol by Dispersed Liquid–Liquid Microextraction–Gas Chromatography.  Processes,  12  (3): (498).  [PMID:] [10.3390/pr12030498]

5. Pengfei Yang, Lingqi Kong, Qiongbo Wang, Qiang Liu, Xiujin Duan, Chen Hu, Zhengbo Feng, Qi Yang, Huabo Jv.  (2026)  Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose.  Frontiers in Chemistry,      [PMID:41867951] [10.3389/fchem.2026.1746408]