(+)-3-Carene - ≥90% , CAS No.498-15-7

CAS: 498-15-7 Cat. No.: C303816 Peso molecular: 136.23 Número EC: 207-856-6

GRADE & PURITY ≥90%

Synonyms

Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S,6R)- | UNII-XBL40A7IA6 | EN300-198858 | (1S)-(+)-3-Carene | Q15222640 | EINECS 207-856-6 | Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-, (1S)- | 15 PGJ2 | NCGC00015588-08 | (+)-3-Carene 1000 microg/mL in Isopr

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

(1S)-(+)-3-Carene is a monoterpene.

Specifications

Sinónimos

Bicyclo(4.1.0)hept-3-ene, 3, 7, 7-trimethyl-, (1S, 6R)- | UNII-XBL40A7IA6 | EN300-198858 | (1S)-(+)-3-Carene | Q15222640 | EINECS 207-856-6 | Bicyclo(4.1.0)hept-3-ene, 3, 7, 7-trimethyl-, (1S)- | 15 PGJ2 | NCGC00015588-08 | (+)-3-Carene 1000 microg/mL in Isopr

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504758793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758793
• Sonrisas canónicas: CC1=CCC2C(C1)C2(C)C
• IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
• InChIKey: BQOFWKZOCNGFEC-BDAKNGLRSA-N
• INCHI: 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
• Isómeros SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C
• Peso molecular: 136.23
• Reaxy-Rn: 8141645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8141645&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

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

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, acetone and benzene
• Sensibilidad: Air sensitive
• Índice de refracción: 1.47
• Rotación específica [α]: 14.5° (neat)
• Punto de inflamación (°C): 46°C(lit.)
• Punto de ebullición (°C): 170℃
• 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: 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

Referencias

1. Liu Bin, Chen Hui.  (2023)  Disruption of carboxylesterase DaEST3 reduces tolerance to host allelochemicals in Dendroctonus armandi.  Arthropod-Plant Interactions,  17  (5): (673-685).  [PMID:] [10.1007/s11829-023-09990-9]

2. Bin Liu, Hui Chen.  (2022)  Identification and Functional Characterization of the Transcription Factors AhR/ARNT in Dendroctonus armandi.  Cells,  11  (23): (3856).  [PMID:36497113] [10.3390/cells11233856]

3. Bin Liu, Danyang Fu, Hang Ning, Ming Tang, Hui Chen.  (2022)  Knockdown of CYP6CR2 and CYP6DE5 reduces tolerance to host plant allelochemicals in the Chinese white pine beetle Dendroctonus armandi.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:36127042] [10.1016/j.pestbp.2022.105180]

4. Lulu Dai, Haiming Gao, Jiaqi Ye, Danyang Fu, Yaya Sun, Hui Chen.  (2018)  Isolation of CarE genes from the Chinese white pine beetle Dendroctonus armandi (Curculionidae: Scolytinae) and their response to host chemical defense.  PEST MANAGEMENT SCIENCE,  75  (4): (986-997).  [PMID:30204286] [10.1002/ps.5205]