(1S)-(-)-α-Pinene - for synthesis , CAS No.7785-26-4

CAS: 7785-26-4 Cat. No.: S434091 分子式: C₁₀H₁₆ 分子量: 136.23 Beilstein Registry Number: 1903790 EC番号: 232-077-3

GRADE & PURITY for Synthesis

Synonyms

FEMA No. 2902 | .ALPHA.-PINENE, L- | DL-ALPHA-PINENE | TZR3GM95PR | Z1255427385 | (1S)-(-)-.alpha.-Pinene | AKOS005622550 | alpha-Pinene (natural) | (-)-alpha-Pinene, 98%, optical purity ee: >=81% (GLC) | AKOS015918159 | ALPHA-PINENE [HSDB] | FEMA Number

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

同義語

FEMA No. 2902 | .ALPHA.-PINENE, L- | DL-ALPHA-PINENE | TZR3GM95PR | Z1255427385 | (1S)-(-)-.alpha.-Pinene | AKOS005622550 | alpha-Pinene (natural) | (-)-alpha-Pinene, 98%, optical purity ee: >=81% (GLC) | AKOS015918159 | ALPHA-PINENE [HSDB] | FEMA Number

仕様と純度

for synthesis

保管条件

Store at 2-8°C

入荷

Wet ice,FedEx DG Service

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。

等級

合成用

名前と識別子

• パブケム・シド: 504758744
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504758744
• カノニカル・スマイル: CC1=CCC2CC1C2(C)C
• IUPAC Name: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
• InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N
• INCHI: 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
• 異性体SMILES: CC1=CC[C@H]2C[C@@H]1C2(C)C
• UN番号: 2368
• 包装グループ: III
• 分子量: 136.23
• Beilstein: 1903790
• Reaxy-Rn: 1560714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560714&ln=

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: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Bicyclic monoterpenoids - Cyclic monoterpenes

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（人間）

MAPK13 Tchem MAP kinase p38 (1586 Activities)

Discover Target: MAPK13

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

• 屈折率: 1.466
• 比旋光度［α］: -45.5 ° (neat)
• 引火点（°C）: 33℃
• 沸点（°C）: 156-158°C
• 融点（°C）: -64°C
• 分子量: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

よくある質問

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 7785-26-4, the molecular formula is C10H16, and the molecular weight is 136.23 g/mol. InChIKey GRWFGVWFFZKLTI-IUCAKERBSA-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.