β-Phellandrene - ≥95% , CAS No.555-10-2

CAS: 555-10-2 Cat. No.: P337471 Fórmula: C₁₀H₁₆ Peso molecular: 136.23 Número EC: 209-081-9 PubChem CID: 11142

GRADE & PURITY ≥95%

Synonyms

beta-Phellandren | HSDB 4080 | p-Mentha-1(7),2-diene | .beta.-Phellandrene | .BETA.-PHELLANDRENE [MI] | NSC53044 | NSC-53044 | 3-methylene-6-(1-methylethenyl)-cyclohexane | DTXCID201079569 | BETA-PHELLANDRENE | beta -phellandrene | 2-p-Menthadiene | DTXSI

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

β-Phellandrene is a cyclic monoterpene with an exocyclic double bond. β-Phellandrene is insoluble in water, but miscible with ether. β-Phellandrene can be found and extracted from the leaves of eucalyptus radiata. β-Phellandrene is a major constituent of essential oils that have antiproliferative effects in human renal adenocarcinoma and amelanotic melanoma cells. β-Phellandrene is also known as beta-phellandrene, 3-Methylene-6-(1-methylethyl)cyclohexene, 3-methylidene-6-propan-2-ylcyclohexene, and 3-isopropyl-6-methylenecyclohex-1-ene.

Application：

Flavoring ingredients for essence and fragrances; It can be used as insect repellent and insecticide; It can be used as raw material for synthesis of terpene resin and menthol.

Specifications

Sinónimos

beta-Phellandren | HSDB 4080 | p-Mentha-1(7),2-diene | .beta.-Phellandrene | .BETA.-PHELLANDRENE [MI] | NSC53044 | NSC-53044 | 3-methylene-6-(1-methylethenyl)-cyclohexane | DTXCID201079569 | BETA-PHELLANDRENE | beta -phellandrene | 2-p-Menthadiene | DTXSI

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)C1CCC(=C)C=C1
• IUPAC Name: 3-methylidene-6-propan-2-ylcyclohexene
• InChIKey: LFJQCDVYDGGFCH-UHFFFAOYSA-N
• INCHI: 1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
• Isómeros SMILES: CC(C)C1CCC(=C)C=C1
• PubChem CID: 11142
• Peso molecular: 136.23

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: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: β-phellandrene

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

Objetivos asociados (no humanos)

Colletotrichum fragariae (147 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Colletotrichum gloeosporioides (560 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in ether, chloroform, methanol and ethanol
• Sensibilidad: Light sensitive
• Índice de refracción: 1.473
• Punto de inflamación (°F): 120 °F
• Punto de inflamación (°C): 44 °C
• Punto de ebullición (°C): 171.5 °C
• Punto de fusión (°C): -42.65° C (Predicted)
• Peso molecular: 136.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Xiaomin Zhang, Gaofeng Hu, Chaoyang Xu, Wen Nie, Kezhou Cai, Hongmei Fang, Baocai Xu.  (2023)  Inhibition of benzo[a]pyrene formation in charcoal-grilled pork sausages by ginger and its key compounds.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  103  (6): (2838-2847).  [PMID:36700254] [10.1002/jsfa.12470]

2. Zhenhe Wang, Wei Chen, Shuang Gu, Jun Wang, Yongwei Wang.  (2020)  Discrimination of wood borers infested Platycladus orientalis trunks using quartz crystal microbalance gas sensor array.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.127767]

3. Xiao Jia, Hongli Cui, Song Qin, Jingnan Ren, Zhifeng Zhang, Qi An, Nawei Zhang, Jinchu Yang, Yongfeng Yang, Gang Fan, Siyi Pan.  (2024)  Characterizing and decoding the key odor compounds of Spirulina platensis at different processing stages by sensomics.  FOOD CHEMISTRY,      [PMID:39182338] [10.1016/j.foodchem.2024.140944]