CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 964 975 964 967 963 968 975 992 962 966 967 974 962 964 978 969 956 973 992 966 966 956 960 961 963 963 976 965 962 964 964 955 966 964 964 963 966 957 964 966 957 963 963 964 970 962 962 964 962 957 957 963.84 967 970 964 964 964 967 964 964 971 968 972 972 970 964 964 964 972 958 968 977 970 967 971 962 967 960 972 973 977 968 973 965 966 960 966 957.68 960.31 962.99 965.75 968.57 971.45 974.38 977.34 980.41 983.56 986.74 967 967 960 965 968 975 980.38 986.91 969 973 969 967 959 973 969 960 970 971 966 968 967 968.03 971 974.34 977.45 980.42 983.73 986.93 990.19 967 966 965 967 958 967 969 968 962 969 962 968 970 976 962 969 965 972 966 962 972 970 962 963 972 967 972 994 973 976 984 996 972 983.3 987.8 994.2 973 972 958 974 967 967 973 973 973 977 972 973 968 966 973 966 973 966 969 969 964 964 965 971 964 968 974 975 972 958 958 965 973 963 973 974 963 967 975 986 975 958 970 962 958 973 977 961 971 963 969 958 965 965 977 963 972 970 958 965 967 940 964 964 963 958 965 975 973 968 968 966 968 975 965 966 976 971 969 972 970 972 972 971 981 961 964 968 973 969 958 958 974 957 960 973 974 963 963 967 975 975 970 969 968 961 953 968 964 975 959 960 960 976 970 967 958 968 969 970 960 967 965 967 985 985 972 979 965 963 967 972 958 955 1017.7 962 970 963 971 964 967 978 966 971 1003 971 972 955 958 979 985 969.5 974.3 966 941 961 973 972 959 968 964 954 974 977 968 970 973 963 970 964 963 965 970 972 975 953 972 949 967 958 970 968 964 972 964 964 964 959 970 970 970 973 973 966 972 965 970.1 958 977 969 976 966 958 972 970 957 962 971 968 970 968 972 972 970 963 959 966 958 976 969 970 970 958 967 973 967 969 958 970 973 968 970 960 960 960 958 958 968 981 983 958 973 972 962 958 972 961 963 968 970 970 962 964 967 967 977 964 975 976 971 973 962 964 963 964 968 969 963 963 963 968 966 968 965 964 964 975 976 963 967 969 977 963 963 963 963 964 965 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.23 g/mol |
|---|---|
| XLogP3 | 3.1 |
| 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 | 179 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite.