beta-ciclocitral - ≥95% , CAS No.432-25-7

CAS: 432-25-7 Cat. No.: B136616 Peso molecular: 152.23 Número EC: 207-081-3

GRADE & PURITY ≥95%

Synonyms

.beta.-Cyclocitral | beta-cyclocitrol | ?-Cyclocitral, Technical Grade | beta-Cyclocitral, analytical standard | Pentadeuterio-beta-cyclocitral;1-Formyl-2,6,6-trimethyl-1-cyclohexene | 2,6,6-trimethyl-cyclohexene-1-carbaldehyde | 2,6,6-Trimethylcyclohexe

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el β-ciclocitral es un metabolito de las cianobacterias del género Microcystis, que tiene un característico sabor a tabaco y es uno de los compuestos terpenoides volátiles predominantes en el agua de floración de las algas.
el beta-ciclocitral se utiliza como agente aromatizante, nutriente, estabilizante, surfactante y emulsionante.

Specifications

Sinónimos

.beta.-Cyclocitral | beta-cyclocitrol | ?-Cyclocitral, Technical Grade | beta-Cyclocitral, analytical standard | Pentadeuterio-beta-cyclocitral;1-Formyl-2, 6, 6-trimethyl-1-cyclohexene | 2, 6, 6-trimethyl-cyclohexene-1-carbaldehyde | 2, 6, 6-Trimethylcyclohexe

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504751883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751883
• Sonrisas canónicas: CC1=C(C(CCC1)(C)C)C=O
• IUPAC Name: 2,6,6-trimethylcyclohexene-1-carbaldehyde
• InChIKey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
• INCHI: 1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
• Isómeros SMILES: CC1=C(C(CCC1)(C)C)C=O
• WGK Alemania: 3
• Peso molecular: 152.23
• Reaxy-Rn: 2042086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
• External Descriptors: monoterpenoid

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

• Solubilidad: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Sensibilidad: air sensitive
• Índice de refracción: 1.498
• Punto de inflamación (°F): >230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 62-63°C
• Peso molecular: 152.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 199.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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. Lang Ming, Yuan-Wen Du, Ge-Ge Yuan, Qi Su, Xiao-Bing Shi, Huan Yu, Gong Chen.  (2023)  Spodoptera litura larvae are attracted by HvAV-3h-infected S. litura larvae-damaged pepper leaves.  PEST MANAGEMENT SCIENCE,  79  (8): (2713-2724).  [PMID:36905637] [10.1002/ps.7449]

2. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song.  (2021)  Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34932338] [10.1021/acs.jafc.1c06473]

3. Weiwei Wu, Zhiqiang Zheng, Zhihui Wang, Biyun He, Siqing Du, Wen Zeng, Weijiang Sun.  (2025)  Identification of key aroma compounds contributing to the pleasurable sensory experience of white Peony tea using GC–MS, computational modeling, and sensory evaluation.  FOOD RESEARCH INTERNATIONAL,      [PMID:40263863] [10.1016/j.foodres.2025.116280]

4. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

5. Dong Wang, Xinrui Huang, Yan Liu, Lian He, Xiaoqin Wu, Fan Wu, Liyong Luo, Liang Zeng.  (2026)  Characterization of key aroma compounds contributing to tropical fruity and Citrus notes and the mechanism of characteristic aroma formation in Dali-variety black tea.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.148762]