Terpinolene - ≥90% , CAS No.586-62-9

CAS: 586-62-9 Cat. No.: T435004 Formule: C₁₀H₁₆ Poids moléculaire: 136.23 Beilstein Registry Number: 1851203 Numéro CE: 209-578-0 PubChem CID: 11463

GRADE & PURITY ≥90%

Synonyms

TERPINOLENE|586-62-9|Isoterpinene|Terpinolen|alpha-Terpinolene|4-Isopropylidene-1-methylcyclohexene|p-Mentha-1,4(8)-diene|1,4(8)-p-Menthadiene|Nofmer TP|Tereben|p-Menth-1,4(8)-diene|1,4(8)-Terpadiene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|1-Methyl-

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonymes

TERPINOLENE | 586-62-9 | Isoterpinene | Terpinolen | alpha-Terpinolene | 4-Isopropylidene-1-methylcyclohexene | p-Mentha-1,4(8)-diene | 1,4(8)-p-Menthadiene | Nofmer TP | Tereben | p-Menth-1,4(8)-diene | 1,4(8)-Terpadiene | Cyclohexene, 1-methyl-4-(1-methylethylidene)- | 1-Methyl-

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥90%

Noms et identifiants

Pubchem Sid

504752131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752131

Sourires canoniques

CC1=CCC(=C(C)C)CC1

IUPAC Name

1-methyl-4-propan-2-ylidenecyclohexene

InChIKey

MOYAFQVGZZPNRA-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3

Isomères SMILES

CC1=CCC(=C(C)C)CC1

WGK Allemagne

2

RTECS

WZ6870000

PubChem CID

11463

Numéro ONU

2541

Groupe d'emballage

III

Poids moléculaire

136.23

Beilstein

1851203

Reaxy-Rn

1851203

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: 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
• Description: 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: 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

Cibles associées (non humaines)

Aspergillus flavus (8875 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, miscible in alcohol and ether.
• Sensibilité: Light & air sensitive.
• Indice de réfraction: 1.489
• Point d'éclair (°F): 147.2 °F
• Point d'éclair (°C): 148°F
• Point d'ébullition (°C): 185°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: 178.000
• 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