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

CAS: 555-10-2 Cat. No.: P337471 分子式: C₁₀H₁₆ 分子量: 136.23 EC番号: 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

概要

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

同義語

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

仕様と純度

≥95%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CC(C)C1CCC(=C)C=C1
• PubChem CID: 11142
• 分子量: 136.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in ether, chloroform, methanol and ethanol
• 感度: Light sensitive
• 屈折率: 1.473
• 引火点（°F）: 120 °F
• 引火点（°C）: 44 °C
• 沸点（°C）: 171.5 °C
• 融点（°C）: -42.65° C (Predicted)
• 分子量: 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

参考文献

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]