Cas no 5208-49-1 ((1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene)

(1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene structure
5208-49-1 structure
Product Name:(1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CAS No:5208-49-1
MF:C10H16
MW:136.234043121338
MDL:MFCD00239411
CID:936343
PubChem ID:57647957
Update Time:2025-04-19

(1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene Chemical and Physical Properties

Names and Identifiers

    • (1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
    • (1R,4R,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene
    • (1S,3R)-cis-4-Carene
    • cis-(-)-4-Carene
    • DTXSID101031487
    • (1S,3R)-cis-4-Carene, >=95.0% (sum of enantiomers, GC)
    • BICYCLO(4.1.0)HEPT-2-ENE, 4,7,7-TRIMETHYL-, (1.ALPHA.,4.BETA.,6.ALPHA.)-
    • 4-Carene, cis-
    • 62839-99-0
    • 5208-49-1
    • UNII-0JSZ9BHM52
    • Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1R,4R,6S)-
    • 4-Carene, (1S,3R,6R)-(-)-
    • AKOS017343757
    • Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1alpha,4beta,6alpha)-
    • 4-Carene, cis-(-)-
    • 70YIT2H368
    • UNII-70YIT2H368
    • 0JSZ9BHM52
    • MDL: MFCD00239411
    • Inchi: 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8+,9-/m0/s1
    • InChI Key: LGNSZMLHOYDATP-YIZRAAEISA-N
    • SMILES: C1(C)(C)[C@@H]2C=C[C@H](C)C[C@H]12

Computed Properties

  • Exact Mass: 136.125200510g/mol
  • Monoisotopic Mass: 136.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.849?g/mL?at 20?°C(lit.)
  • Melting Point: 25°C (estimate)
  • Boiling Point: 170.55°C (estimate)
  • Flash Point: Fahrenheit: 100.4 ° f
    Celsius: 38 ° c
  • Refractive Index: n20/D 1.469
  • Optical Activity: [α]20/D ?145±5°, neat

(1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Hazardous Material transportation number:UN 2319 3 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: 23-24/25
  • FLUKA BRAND F CODES:10

(1r,4r)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene Pricemore >>

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