CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Hawley] |
|---|---|
| Color/Form | COLORLESS OIL |
| Melting Point | 249.00 °C. @ 760.00 mm Hg |
| Solubility | PRACTICALLY INSOL IN WATER; SOL IN ETHER /D- & L-FORMS/ |
| Density | 0.845-0.855 |
| Vapor Pressure | 1.4 [mmHg] |
| Refractive Index | 1.471-1.477 |
| Kovats Retention Index | 997 1007 998 996 996 998 1000 1028 994 998 999 1004 997 1022 1008 998 1003 1041 998 998 1003 1002 992 989 998 991 995 1001 996 1001 997 998 997 997 1005 994 997 997 989 990 991 974 991.1 998 997 989 993 993 997 1003 997 997 993 993 998 997 998 997 999 1005 1003.2 997 1002 993 1007 995 1002 999 1004 1000 994 1009 1002 1002 996 1001 995 994 1000 1003.67 1006.67 1009.74 1012.78 1015.83 1019.04 986.95 989.59 992.3 995.05 997.86 1008 999 1009 1002 1002 999 997 1009 992 994 1001 999 999 998 1003 995 1003 995 994 995 994 1017 995 996 997 998 1000 1000 1002 994 997 998 1000 1001 1001.4 998 1002 998 998 1003 1009 1000 1002 1013 1027 985 1003.7 1007.1 1012 1000 995 999 1002 1002 997 997 1002 985 1005 1005 999 1002 991 1002 997 993 996 1000 1008 1003 1013 995 995 1002 998 995 984 1012 995 997 995 1003 1005 998 1005 1003 999 1002 997 997 997 996 1003 997 1004 998 1002 999 1006 999 1003 1016 989 995 992 986 995 1003 1005 1003 1005 995 996 995 1005 1004 1002 1002 1004 1005 1027 995 1003 1003 990 1001 989 987 999 1003 997 1004 1005 990 1001 1001 1004 995 1002 999 1003 994 995 1001 1006 1006 998 998 1002 1006 994 999 995 995 1015 1006 996 1003 1012 1000 1007.2 989 999 1000 998 1027 997 984 1007 1008 1000 1002 1004 1010 993 992 999 989 987 1000 988 993 995 998 991 1009 998 998 1002 1002 1002 1002 988 995 1007 1005 997 994 996 1002 993 997 1000 1002 999 1004 993 992 1001 995 996 1005.2 995 997 999 998 995 998 993 1001 993 995 1013 1013 1000 1000 994 995 995 1000 997 997 992 994 996 995 994 994 993 1000 997 1002 990 999 1000 996 996 988 1003 1005 998 993 993 1003 1004 1005 996 1000 993 1002 994 994 992 993 993 1000 |
| Other Experimental Properties | BP: 171-172 °C @ 758 MM HG; DENSITY: 0.8410 @ 20 °C/4 °C; INDEX OF REFRACTION: 1.4732 @ 20 °C/D /L-FORM/ |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.23 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 136.125200510 g/mol |
| Monoisotopic Mass | 136.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 161 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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, a plant metabolite and an antimicrobial agent. It is a phellandrene and a cyclohexadiene.