Terpinolene - ≥85% , CAS No.586-62-9

CAS: 586-62-9 Cat. No.: T111094 Fórmula: C₁₀H₁₆ Peso molecular: 136.23 Beilstein Registry Number: 1851203 Número CE: 209-578-0 PubChem CID: 11463

GRADE & PURITY ≥85%

Synonyms

delta-Terpinene | TERPINOLENE [HSDB] | UNII-N9830X5KSL | 1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI | alpha -Terpinolene | p-Meth-1-en-8-yl-formate | Alpha-Terpinolene 1000 microg/mL in Isopropanol | FEMA Number 3046 | DTXCID507222 | FT-0632449 | UN

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

delta-Terpinene | TERPINOLENE [HSDB] | UNII-N9830X5KSL | 1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI | alpha -Terpinolene | p-Meth-1-en-8-yl-formate | Alpha-Terpinolene 1000 microg/mL in Isopropanol | FEMA Number 3046 | DTXCID507222 | FT-0632449 | UN

Especificações e pureza

≥85%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

FedEx DG Service

Pureza

≥85%

Nomes e identificadores

Pubchem Sid

488181350

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181350

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

2

RTECS

WZ6870000

PubChem CID

11463

Número UN

2541

Grupo de embalagem

III

Peso molecular

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
• Descrição: 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

Alvos associados (não humanos)

Aspergillus flavus (8875 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, miscible in alcohol and ether.
• Sensibilidade: Light sensitive.
• Índice de refração: 1.489
• Ponto de inflamação (°F): 147.2 °F
• Ponto de inflamação (°C): 148°F
• Ponto de ebulição (°C): 185°C
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 586-62-9, the molecular formula is C10H16, and the molecular weight is 136.23 g/mol. InChIKey MOYAFQVGZZPNRA-UHFFFAOYSA-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.