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3338-55-4

3338-55-4 structural image
Product Name: OCIMENE MIXTURE OF ISOMERS
Formula: C10H16
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 177.00 °C. @ 760.00 mm Hg
Kovats Retention Index 1052 1024 1024 1034 1024 1025 1028 1025 1041 1025 1028 1026 1028 1034 1023 1031 1027 1040 1026 1025 1025 1025 1012 1025 1025 1025 1026 1028 1031 1025 1024 1027 1022 1026 1026 1025 1025 1043 1037 1024 1024 1026 1025 1024 1028 1033.4 1024 1024 1024 1035 1032 1029 1030 1039 1035 1026 1025 1029 1027 1026 1026 1029 1038 1031 1031 1028 1038 1064 1034 1028 1033 1031 1034 1022 1029 1040 1029 1028 1035 1017 1035 1030 1028 1028 1028 1028 1028 1029 1029 1028 1017 1023 1032 1033 1028 1028 1028 1044 1028 1025 1029 1025 1036 1028 1030 1029 1028 1028 1026 1021.7 1030 1042 1025 1027 1028 1029 1030 1035 1038 1027 1028 1029 1030 1024 1038 1038.4 1039.9 1027 1017 1030 1025 1025 1029 1029 1035 1039 1038 1030 1026 1030 1035 1028 1031 1034 1030 1017 1017 1029 1030 1029 1037 1017 1051 1035 1017 1031 1017 1035 1031 1031 1025 1026 1037 1037 1040 1031 1017 1035 1026 1029 1026 1022 1022 1025 1027 1024 1036 1037 1035 1032 1026 1039 1035 1035 1030 1038 1040 1035 1035 1033 1034 1046 1027 1028 1030 1017 1038 1017 1017 1029 1034 1038 1031 1037 1026 1037 1035 1023 1025 1039 1084 1030 1017 1035 1024 1017 1028 1035 1084 1084 1027 1021 1024 1025 1075 1026 1026 1028 1027 1036 1028 1051 1044 1028 1079 1024 1028 1025 1029 1022 1027 1033 1028 1059 1037 1026 1023 1036 1026 1010 1027 1038 1028 1028 1017 1030 1024 1025 1027 1039 1035 1045 1041 1037 1028 1027 1029 1017 1027 1030 1038 1028 1029 1027 1017 1025 1034 1029 1037.5 1017 1035 1037 1028 1017 1021 1030 1017 1025 1028 1029 1017 1027 1017 1015 1030 1030 1035 1024 1027 1030 1028 1023 1022 1025 1034 1027 1026 1026 1025 1026 1027 1026 1030 1026 1027 1025 1026 1027 1025 1027 1029 1029 1041 1025 1027 1027 1027 1027 1025 1027

COMPUTED DESCRIPTORS

Molecular Weight 136.23 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
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 155
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(Z)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer). It has a role as a plant metabolite.

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