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68916-43-8

68916-43-8 structural image
Product Name: CITRONELLOL
Formula: C10H20O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder, Liquid, Other Solid; Liquid
Color/Form Colorless oily liquid
Odor Fresh rosy odor
Taste Bitter taste /d-Citronellol/; sweet, peach-like flavor /l-citronellol/
Boiling Point 224 °C
Melting Point <-20 °C
Solubility In water, 200 mg/L at 25 °C
Density 0.8550 g/cu cm at 20 °C
Vapor Pressure 0.04 [mmHg]
LogP log Kow = 3.91
Stability/Shelf Life Stable under recommended storage conditions.
Viscosity 11.1 mPa s (dynamic) at 20 °C; 5.33 mPa s (dynamic) at 40 °C
Refractive Index Index of refraction: 1.4559 at 20 °C
Kovats Retention Index 1208 1207 1208 1213 1214 1212 1210 1212 1213 1213 1214 1209 1207 1210 1208 1225 1207 1208 1207 1207 1218 1207 1212 1215 1229 1209 1209 1211.7 1214.4 1208 1206 1211 1208.15 1208.2 1208.27 1208.44 1208.49 1208.6 1208.61 1208.77 1208.98 1209.09 1209.17 1209.6 1209.73 1209.82 1210.52 1210.54 1211.43 1211.44 1212.46 1212.51 1213.56 1213.78 1215.02 1216.54 1211 1211 1225 1208 1220 1215 1215 1220 1212 1202 1215 1215 1215 1215 1213 1209.8 1216 1210 1213 1218 1225 1211 1211 1213 1213 1226 1226 1212 1210 1216 1212 1210 1209 1225 1243 1208 1210 1228 1208 1210 1208 1207 1210 1222 1223 1228 1228 1221 1211 1213 1222 1220 1220 1211 1215 1220 1217 1214 1208 1215 1212 1207 1209 1210 1202 1212 1212.3 1225 1212 1208 1208 1216 1209 1212 1213 1203 1203 1209 1209 1211 1211 1204 1209 1210 1209 1207 1209 1215 1225 1216
Other Experimental Properties Oily liquid; boiling pt: 224.5 °C; specific gravity: 0.8850 20/4 °C; optical rotation: 5.33 deg at 20 °C /(+)-Form/
Chemical Classes Biological Agents -> Plant Oils and Extracts

COMPUTED DESCRIPTORS

Molecular Weight 156.26 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 156.151415257 g/mol
Monoisotopic Mass 156.151415257 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 112
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

Citronellol is a monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. It has a role as a plant metabolite.