CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Odor | PLEASANT ODOR |
| Taste | BURNING TASTE |
| Boiling Point | 171.00 to 174.00 °C. @ 760.00 mm Hg |
| Flash Point | 120 °F. |
| Vapor Density | 4.68 (AIR= 1) |
| Vapor Pressure | 1.59 [mmHg] |
| Kovats Retention Index | 1030 1023 1020 1020 1050 1020 1024 1025 1043 1022 1022 1010 1020 1014 1018 1030 1020 1021 1020 1020 1022 1007 1010 1020 1022 1018 1014 1023 1023 1021 1056 1016 1021 1021 1021 1016 1016 1022 1021 1023 1021 1021 1028 1026 1020 1026 1022 1018 1029 1026 1013 1035 1019 1026 1014 1017 1025 1031 1018 1005 1019 1026 1019 1024 1028 1027 1026 1017 1018 1020 1024 1024.9 1018 1030 1043 1056 1024 1026.3 1032 1038.4 1027 1005 1033 1023 1026 1020 1005 1005 1021 1023 1023 1025 1022 1005 1018 1020 1005 1021 1020 1021 1021 1021 1005 1030 1020 997 1030 1030 1029 1026 1016 1009 1005 1014 1026 1005 1026 1030 1027 1005 1030 1030 1016 1020 1014 1014 1030 1025 1025 1005 1024 1024 1016 1005 1030 1029 1031 1025 1018 1020 1034 1045 1049 1016 1020 1009 1028 1030 1024 1028 1028 1019 1019 1016 1025 1021 1012 1028 1028 1016 1005 1027 1031 1018 1005 1018 1022 1027 1027 1012 1005 1032 1015 1005 1025 1025 1005 1005 1027 1016 1005 1005 1005 1018 1005 1023 1018 1027 1018 1023 1022 1018 1027 1018 1018 1022 1025 1025 1036 1025 1038 1022 1022 1018 1018 1023 1011 1018 1019 1025 1019 1019 1019 1017 1011 |
| Other Experimental Properties | MOBILE OIL; PRACTICALLY INSOL IN WATER; SOL IN ETHER; INDEX OF REFRACTION: 1.4788 @ 20 °C/D; SPECIFIC OPTICAL ROTATION: +65.2 DEG @ 20 °C/D; BP: 171-172 °C @ 760 MM H;; DENSITY: 0.8520 @ 20 °C/4 °C /D-FORM/ |
| Chemical Classes | Biological Agents -> Terpenes |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.23 g/mol |
|---|---|
| XLogP3 | 3.4 |
| 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 | 151 |
| 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
Beta-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). It has a role as a plant metabolite.