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

CAS: 7785-26-4 Cat. No.: S434091 Formule: C₁₀H₁₆ Poids moléculaire: 136.23 Beilstein Registry Number: 1903790 Numéro CE: 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

Synonymes

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

Spécifications et pureté

for synthesis

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

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

Grade

for Synthesis

Noms et identifiants

Pubchem Sid

504758744

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758744

Sourires canoniques

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

Isomères SMILES

CC1=CC[C@H]2C[C@@H]1C2(C)C

Numéro ONU

2368

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.466
• Rotation spécifique [α]: -45.5 ° (neat)
• Point d'éclair (°C): 33℃
• Point d'ébullition (°C): 156-158°C
• Point de fusion (°C): -64°C
• Poids moléculaire: 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

Foire aux questions

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.