Cas no 4795-86-2 ((1r)-(+)-cis-pinane)

(1r)-(+)-cis-pinane structure
(1r)-(+)-cis-pinane structure
Product Name:(1r)-(+)-cis-pinane
CAS No:4795-86-2
MF:C10H18
MW:138.249923229218
CID:931638
PubChem ID:329768974
Update Time:2025-04-19

(1r)-(+)-cis-pinane Chemical and Physical Properties

Names and Identifiers

    • (1r)-(+)-cis-pinane
    • PINANE, (1R)-(+)-cis(AS)
    • PINANE, (1R)-(+)-CIS(SG)
    • (1R-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptane
    • (1R)-(+)-cis-Pinane1000μg
    • (1R)-cis-Pinane
    • (1R,2S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
    • 80593_FLUKA
    • diisopinocampheylborane
    • EINECS 225-352-4
    • pinane of uncertain configuration
    • trans-pinane
    • 4795-86-2
    • XOKSLPVRUOBDEW-DJLDLDEBSA-N
    • PINANE, CIS-(+)-
    • 6876-13-7
    • BICYCLO(3.1.1)HEPTANE, 2,6,6-TRIMETHYL-, (1R,2S,5R)-
    • UNII-FDS697478P
    • cis-(+)-pinane
    • Q27277935
    • (+)-CIS-PINANE
    • (1R)-(+)-cis-Pinane, analytical standard
    • FDS697478P
    • Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-
    • (1R,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
    • DTXSID601032280
    • MDL: MFCD00066420
    • Inchi: 1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
    • InChI Key: XOKSLPVRUOBDEW-DJLDLDEBSA-N
    • SMILES: C1(C)(C)[C@@H]2CC[C@H](C)[C@H]1C2

Computed Properties

  • Exact Mass: 138.140850574g/mol
  • Monoisotopic Mass: 138.140850574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 146
  • 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: 3.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.856?g/mL?at 20?°C(lit.)
  • Melting Point: -53°C
  • Boiling Point: 168-169?°C(lit.)
  • Flash Point: Fahrenheit: 118.4 ° f
    Celsius: 48 ° c
  • Refractive Index: n20/D 1.463
  • Optical Activity: [α]20/D +24±1°, neat

(1r)-(+)-cis-pinane Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Hazardous Material transportation number:UN 2319 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: 16
  • HazardClass:3.2
  • PackingGroup:III
  • Risk Phrases:10
  • Packing Group:III
  • Hazard Level:3.2
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