(+)-2-Carene - ≥97% , CAS No.4497-92-1

CAS: 4497-92-1 Cat. No.: C469229 Formula: C₁₀H₁₆ Peso molecolare: 136.23 Numero EC: 224-792-4

QUALITÀ & PUREZZA ≥97%

Synonyms

(+)-2-Carene, 97% | PINONENE | Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S,6R)- | delta-4-carene | EINECS 224-792-4 | (1S,6R)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE | (1S,6R)-3,7,7-trimethyl-bicyclo[4.1.0]Hept-2-ene | (+)-2-Carene | (1S)-3,7,7-Trimet

Storage

Room temperature

Specifiche

Sinonimi

(+)-2-Carene, 97% | PINONENE | Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S,6R)- | delta-4-carene | EINECS 224-792-4 | (1S,6R)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE | (1S,6R)-3,7,7-trimethyl-bicyclo[4.1.0]Hept-2-ene | (+)-2-Carene | (1S)-3,7,7-Trimet

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC1=CC2C(C2(C)C)CC1

IUPAC Name

(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene

InChIKey

IBVJWOMJGCHRRW-BDAKNGLRSA-N

INCHI

1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

136.23

Reaxy-Rn

4305262

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4305262&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: Carane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descrizione: 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: Not available

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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.476 (lit.)
• Punto di infiammabilità (°F): 100.4 °F
• Punto di infiammabilità (°C): 38 °C
• Punto di ebollizione (°C): 167-168 °C (lit.)
• Peso molecolare: 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 4497-92-1, the molecular formula is C10H16, and the molecular weight is 136.23 g/mol. InChIKey IBVJWOMJGCHRRW-BDAKNGLRSA-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.