Phellandrene

Phellandrenes
α-Phellandrene
α-Phellandrene
α-Phellandrene
β-Phellandrene
β-Phellandrene
β-Phellandrene
Names
IUPAC names
(α): 2-Methyl-5-(propan-2-yl)cyclohexa-1,3-diene
(β): 3-Methylidene-6-(propan-2-yl)cyclohex-1-ene
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.014.121 Edit this at Wikidata
EC Number
  • (α): 202-792-5
  • (β): 209-081-9
  • (−)-(α): 224-167-6
KEGG
UNII
  • (α): InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
    Key: OGLDWXZKYODSOB-UHFFFAOYSA-N
  • (β): InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
    Key: LFJQCDVYDGGFCH-UHFFFAOYSA-N
  • (−)-(α): InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
    Key: OGLDWXZKYODSOB-SNVBAGLBSA-N
  • (+)-(α): InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
    Key: OGLDWXZKYODSOB-JTQLQIEISA-N
  • (α): CC1=CCC(C=C1)C(C)C
  • (β): CC(C)C1CCC(=C)C=C1
  • (−)-(α): CC1=CC[C@@H](C=C1)C(C)C
  • (+)-(α): CC1=CC[C@H](C=C1)C(C)C
Properties[1]
C10H16
Molar mass 136.24 g/mol
Appearance Colorless oil (α and β)
Density α: 0.846 g/cm3
β: 0.85 g/cm3
Boiling point α: 171-172 °C
β: 171-172 °C
Insoluble (α and β)
Hazards
GHS labelling:
GHS02: FlammableGHS08: Health hazard
Danger
H226, H304
P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Phellandrenes are organic compounds with the formula C10H20. have a similar molecular structure and similar chemical properties. α-Phellandrene and β-phellandrene are cyclic monoterpenes and are double-bond isomers. In α-phellandrene, both double bonds are endocyclic, and in β-phellandrene, one of them is exocyclic. Both are insoluble in water, but miscible with organic solvents.

  1. ^ The Merck Index, 12th Edition, 7340, 7341