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

CAS: 432-25-7 Cat. No.: B136616 Formule: C₁₀H₁₆O Poids moléculaire: 152.23 Numéro CE: 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

Vue d’ensemble

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

Synonymes

.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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504751883

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751883

Sourires canoniques

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

Isomères SMILES

CC1=C(C(CCC1)(C)C)C=O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Sensibilité: air sensitive
• Indice de réfraction: 1.498
• Point d'éclair (°F): >230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 62-63°C
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 432-25-7, the molecular formula is C10H16O, and the molecular weight is 152.23 g/mol. InChIKey MOQGCGNUWBPGTQ-UHFFFAOYSA-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.