Myrcène - ≥90%(GC) , CAS No.123-35-3

CAS: 123-35-3 Cat. No.: M101322 Formule: C₁₀H₁₆ Poids moléculaire: 136.23 Beilstein Registry Number: 1719990 Numéro CE: 204-622-5

GRADE & PURITY ≥90%(GC)

Synonyms

2-Méthyl-6-méthylène-2,7-octadiène | b-Myrcène | 3-Méthylène-7-méthyl-1,6-octadiène | 7-Méthyl-3-méthylène-octa-1,6-diène | 7-Méthyl-3-méthylène-octa-1,6-diène | bêta-géraniolène | Myrcène standard analytique | CAS-123-35-3 | FT-0672572 | InChI=1/C10H16/c

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

le β-Myrcène se trouve dans l'huile de baie, de verveine et de houblon et est utilisé comme intermédiaire dans la fabrication de produits chimiques de parfumerie.
Il est utilisé comme intermédiaire dans la fabrication de produits chimiques pour la parfumerie.

Specifications

Synonymes

2-Méthyl-6-méthylène-2,7-octadiène | b-Myrcène | 3-Méthylène-7-méthyl-1,6-octadiène | 7-Méthyl-3-méthylène-octa-1,6-diène | 7-Méthyl-3-méthylène-octa-1,6-diène | bêta-géraniolène | Myrcène standard analytique | CAS-123-35-3 | FT-0672572 | InChI=1/C10H16/c

Spécifications et pureté

≥90%(GC)

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥90%(GC)

Noms et identifiants

Pubchem Sid

508813687

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813687

Sourires canoniques

CC(=CCCC(=C)C=C)C

IUPAC Name

7-methyl-3-methylideneocta-1,6-diene

InChIKey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

Isomères SMILES

CC(=CCCC(=C)C=C)C

WGK Allemagne

2

RTECS

RG5365000

Numéro ONU

2319

Groupe d'emballage

III

Poids moléculaire

136.23

Beilstein

1719990

Reaxy-Rn

1719990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719990&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: Acyclic monoterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Alkatrienes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Branched unsaturated hydrocarbon - Alkatriene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: a 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat and Air sensitive
• Indice de réfraction: 1.469
• Point d'éclair (°F): 111.2 °F
• Point d'éclair (°C): 44 °C
• Point d'ébullition (°C): 165°C
• Poids moléculaire: 136.230 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• 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: 145.000
• 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