exo-Tetrahydrodicyclopentadiene - ≥94%(GC) , CAS No.2825-82-3

CAS: 2825-82-3 Cat. No.: E156267 Molecular Weight: 136.24 EC Number: 220-585-8

GRADE & PURITY ≥94%(GC)

Synonyms

ethyl-2-(2-aminothiazol-5-yl)acetate | (1R,2S,6R,7S)-tricyclo[5.2.1.0?,?]decane | LPSXSORODABQKT-FIRGSJFUSA-N | Q27253256 | 1Z2JUO569N | D92560 | TRIMETHYLENENORBORNANE, EXO- | (3a-trans,7a-trans)-octahydro-4r,7-methano-indene | DTXCID00809530 | octahydro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl-2-(2-aminothiazol-5-yl)acetate | (1R, 2S, 6R, 7S)-tricyclo[5.2.1.0?, ?]decane | LPSXSORODABQKT-FIRGSJFUSA-N | Q27253256 | 1Z2JUO569N | D92560 | TRIMETHYLENENORBORNANE, EXO- | (3a-trans, 7a-trans)-octahydro-4r, 7-methano-indene | DTXCID00809530 | octahydro

Specifications & Purity

≥94%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥94%(GC)

Names and Identifiers

• Pubchem Sid: 488197233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197233
• Canonical Smiles: C1CC2C3CCC(C3)C2C1
• IUPAC Name: (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane
• InChIKey: LPSXSORODABQKT-FIRGSJFUSA-N
• INCHI: 1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
• Isomeric SMILES: C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
• RTECS: PB9600000
• Molecular Weight: 136.24
• Reaxy-Rn: 5726014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5726014&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Norbornane monoterpenoid - Monoterpenoid - Polycyclic hydrocarbon - Saturated hydrocarbon - Hydrocarbon - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water; soluble in alcohols, hydrocarbons
• Refractive Index: 1.49
• Flash Point(°F): 55°C(lit.)
• Flash Point(°C): 55°C(lit.)
• Molecular Weight: 136.230 g/mol
• XLogP3: 3.800
• 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: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

References

1. Yucai Lu, Jiuyu Chen, Baozhong Zhu, Jiquan Wang, Cong Jiang, Minggao Xu, Yunlan Sun.  (2023)  Effect of oleic acid on the stability and the combustion of nanoaluminium/JP-10 bi-phase system: Experimental and molecular dynamics studies.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132459]

2. Lei Shi, Ping Xu, Rui Wang, Weixin Tang, Tao Ding, Rongpei Jiang, Changhua Zhang.  (2022)  Experimental and kinetic study on JP-10/air autoignition and the effect of NO2 at high temperatures.  FUEL,      [PMID:] [10.1016/j.fuel.2022.126418]

3. Zhe Kong, Yucai Lu, Jinyu Dai, Yunlan Sun, Jiuyu Chen, Baozhong Zhu.  (2025)  Influence of the oxidation degree of aluminum nanoparticles on the stability and combustion of Al/JP-10 nanofluid fuels.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2025.103150]