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546-79-2

546-79-2 structural image
Product Name: 4-THUJANOL
Formula: C10H18O
Synonyms: 4-Thujanol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description terpineol odour
Refractive Index trans, 1.443 (60°); cis, 1.449 (60°)
Kovats Retention Index 1051 1050 1081 1087 1080 1050 1077 1050 1083 1050 1116 1050 1083 1053 1051 1064 1051 1045 1074 1116 1050 1053 1080 1049 1083 1082.44 1051.37 1053 1054 1053 1053 1053 1053 1060 1088 1081 1051 1076 1087 1056 1080 1053 1084 1054 1096 1054 1059 1059 1096 1070 1092 1055 1093.92 1094.1 1101.86 1102.39 1064.92 1072.66 1091 1052 1083 1056 1094 1061 1091 1062 1060 1060 1086 1051 1079.72 1083.12 1086.63 1090.26 1094 1097.88 1101.89 1106.04 1052.01 1054.96 1058.13 1061.31 1064.72 1068.31 1072.09 1076.07 1073 1052 1059 1091 1092 1078 1085 1065 1096 1090 1112 1060 1091 1084 1064 1073 1079 1098 1089 1061 1066 1037 1066 1037 1053 1054 1075 1046 1066 1037 1044 1077 1047 1077 1056 1066 1097 1050 1037 1053 1056 1057 1051 1053 1098 1066 1037 1066 1037 1097 1068 1096 1036 1082 1056 1053 1079 1087 1066 1037 1057 1058 1058 1036 1096 1118 1037 1090 1052 1092 1054 1044 1075 1046 1085 1062 1052 1058 1087 1060 1073 1051 1053 1053 1044 1054 1066 1037 1087 1053 1061 1055 1059 1052 1063.8 1066 1037 1047 1049 1101 1058 1070 1066 1037 1087 1059 1068 1097 1067 1062 1057 1060 1059 1088 1059 1085 1055 1064 1059 1082 1057 1066 1037 1076 1060 1073 1073 1066 1037 1089 1059 1056 1080 1050 1102 1054 1085 1088 1088 1054 1054 1057 1060 1058 1059 1059 1089 1058 1053 1088 1069 1059 1060 1053 1096 1097 1053 1080 1088 1101 1053 1060 1071 1086 1054 1089 1056 1051 1096 1053 1114 1109 1090 1040

COMPUTED DESCRIPTORS

Molecular Weight 154.25 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 154.135765193 g/mol
Monoisotopic Mass 154.135765193 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 187
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Sabinene hydrate is a p-menthane monoterpenoid.