Compound: ALPHA-PHELLANDRENE
SMILES: C=1(C=CC(C(C)C)CC1)C
InChIKey: OGLDWXZKYODSOB-UHFFFAOYSA-N
Synonyms: ALPHA-PHELLANDRENE, 99-83-2, p-Mentha-1,5-diene, Menthadiene, alpha-Fellandrene, Dihydro-p-cymene, alpha Phellandrene, 5-Isopropyl-2-methyl-1,3-cyclohexadiene, 4-Isopropyl-1-methyl-1,5-cyclohexadiene, Phellandrene, alpha-, 1-Isopropyl-4-methyl-2,4-cyclohexadiene, 1-Methyl-4-isopropyl-1,5-cyclohexadiene, 2-Methyl-5-isopropyl-1,3-cyclohexadiene, 5-isopropyl-2-methylcyclohexa-1,3-diene, 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene, FEMA No. 2856, alpha-Phellandrene (natural), 2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene, DTXSID4047593, HSDB 1130, alpha-Phellandren, EINECS 202-792-5, UNII-49JV13XE39, BRN 1280394, (-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene, 49JV13XE39, DTXCID2027593, CHEBI:50035, 3-05-00-00342 (Beilstein Handbook Reference), (+-)-alpha-Phellandrene, RefChem:5528, rho-MENTHA-1,5-DIENE, 202-792-5, 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, a-phellandrene, .alpha.-Phellandrene, 2-methyl-5-propan-2-ylcyclohexa-1,3-diene, 1-phellandrene, (-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene, 5-isopropyl-2-methyl-cyclohexa-1,3-diene, a-Phellandrene (Technical Grade), alpha-Phellandrene, stabilized, NSC1842, -Phellandrene, ?-Phellandrene, 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-; p-Mentha-1,5-diene (8CI); 2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene; 6-Isopropyl-3-methyl-1,3-Cyclohexadiene; Menthadiene; alpha-Phellandrene, .alpha.-Fellandrene, MFCD00040419, (-)-a-Phellandrene, 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-, PHELLANDRENE,ALPHA, (+/-)-alpha-Phellandrene, .ALPHA. PHELLANDRENE, SCHEMBL159518, orb1679997, SCHEMBL7481288, ALPHA-PHELLANDRENE [FCC], CHEMBL3188459, FEMA 2856, ALPHA-PHELLANDRENE [HSDB], .RHO.-MENTHA-1,5-DIENE, .ALPHA.-PHELLANDRENE [MI], MSK40228, NSC-1842, .ALPHA.-PHELLANDRENE [FHFI], Tox21_302550, EBC-80289, (+/-)-.ALPHA.-PHELLANDRENE, AKOS015913085, CAS-99-83-2, .ALPHA.-PHELLANDRENE, (+/-)-, NCGC00256667-01, AS-75606, FP161129, alpha-Phellandrene, natural, >=85%, FG, DB-070271, DB-278900, HY-121615, CS-0082877, M0051, NS00012750, E77746, 1-(1-methylethyl)-4-methyl-2,4-cyclohexadiene, EN300-7644670, (+/-)-alpha-Phellandrene 100 microg/mL in Methanol, Q19606345, 1,?3-?Cyclohexadiene, 2-?methyl-?5-?(1-?methylethyl)?-
Theoretical properties:
molecular_formula: C10H16
molecular_weight: 136.23 g/mol
exact_mass: 136.125200510 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS OIL
color: COLORLESS OIL
melting_point: 249.00 °C. @ 760.00 mm Hg
density: 0.845-0.855
solubility: PRACTICALLY INSOL IN WATER; SOL IN ETHER /D- & L-FORMS/
vapor_pressure: 1.4 [mmHg]
Descriptions:
pubchem: Alpha-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). It has a role as a volatile oil component, an antimicrobial agent and a plant metabolite. It is a cyclohexadiene and a phellandrene.
chebi: One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (<em>cf</em>. α-phellandrene, where one of them is exocyclic).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phellandrenes are  organic compounds with the formula C10H16. They 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.