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

CAS: 432-25-7 Cat. No.: B136616 Molecular Weight: 152.23 EC Number: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

β-Cyclocitral is a metabolite of the cyanobacteria of the genus Microcystis, which has a characteristic tobacco flavor.It is one of the predominant volatile terpenoid compounds found in algal bloom water.
beta-Cyclocitral is used as flavoring agent, nutrient, stabilizers, surfactants and emulsifiers.

Specifications

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504751883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751883
• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)C=O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Sensitivity: air sensitive
• Refractive Index: 1.498
• Flash Point(°F): >230°F
• Flash Point(°C): >110℃
• Boil Point(°C): 62-63°C
• Molecular Weight: 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

References

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]