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8016-20-4

Product Name: Grapefruit Oil
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dipentene appears as a colorless liquid with an odor of lemon. Flash point 113 °F. Density about 7.2 lb /gal and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent for rosin, waxes, rubber; as a dispersing agent for oils, resins, paints, lacquers, varnishes, and in floor waxes and furniture polishes.
Color/Form Colorless liquid
Odor Pleasant lemon-like
Taste Sweet, citrus taste
Boiling Point 352 °F at 760 mmHg (USCG, 1999)
Melting Point -40 °F (USCG, 1999)
Flash Point 115 °F (USCG, 1999)
Solubility In water, 7.57 mg/L at 25 °C
Density 0.842 at 69.8 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 4.7 (Air = 1)
Vapor Pressure 1.55 [mmHg]
LogP log Kow = 4.57
Autoignition Temperature 458 °F (USCG, 1999)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of Combustion -19,520 Btu/lb = -10,840 cal/g = -454X10+5 J/kg
Heat of Vaporization 140 Btu/lb = 77 cal/g = 3.2x10+5 J/kg
Surface Tension 26 dynes/cm = 0.026 N/m at 20 °C
Refractive Index Index of refraction: 1.4744 at 25 °C/D
Kovats Retention Index 1020 1020 1022 1028 1023 1020 1022 1022 1005 1054 1026 1029 1021 1053 1020 1020 1024 1021 1025 1016 1022 1019 1064 1020 1020 1058 1039 1030 1020 1012 1025 1025 1026 1022 1022 1017 1032 1017 1019 1018 1021 1020 1020 1018 1029 1022 1020 1024 1020 1020 1012 1022 1020 1031 1021 1023 1023 1019 1010 1020 1022 1020 1025 1025 1013 1020 1020 1019 1033 1013 1015.8 1015.8 1020 1026 1026 1021 1019 1018 1023 1023 1021 1031 1023 1023 1025 1025 1025 1023 1030.8 1038 1030 1021 1021 1025 1016 1016 1022 1020 1020 1015 1028 1023 1021 1021 1023 1026 1024 1033.2 1021 1021 1020 1019 1026 1018 1021 1031 1026 1027 1025 1021 1030 1015 1031 1032 1026 1022 1023 1022 1018 1025 1023 1032 1023 1020 1023 1026 1019 1035 1029 1030 1020 1027 1022 1019.5 1021.5 1024.9 1026.3 1031.9 1026.3 1030.73 1026 1033 1034 1017 1021 1026 1029 1030 1031 1031 1034 1017 1018 1032 1032 1022 1011.1 1013.66 1016.32 1018.99 1021.74 1024.53 1027.41 1030.32 1033.31 1036.39 1039.52 1022 1022 1020 1023 1017 1017 1024 1041 1025 1033.04 1033.21 1039.19 1039.68 1024 1024 1025 1024 1039 1017 1019 1018 1031 1024 1019 1016 1015 1025 1024 1024 1024 1024 1021.75 1024.42 1027.23 1030.21 1033.38 1036.74 1040.32 1044.15 1023 1018 1020 1014 1028 1025 1021 1019 1024 1024 1026 1025 1024 1027 1026 1030 1043 1020 1020 1024 1025 1028 1026 1027 1027.1 1026 1029 1025 1019 1020 1025 1021 1026 1020 1027 1030 1022 1038 1020 1020 1030.5 1020 1020 1030 1030 1036 1040 1045 1049 1040 1019.8 1026 1029 1032 1036 1019 1036 1023 1038 1018 1018 1029 1030 1053 1027 1031.3 1035.2 1030 1031 1023 1024 1051 1042.8 1043 1028 1009 1025 1022 1022 1025 1025 1026 1026 1017 1033 1031 1032 1033 1032 1025 1020 1021 1025 1026 1054 1024 1021 1021 1024 1020 1018 1020 1027 1018 1035 1018 1025 1028 1031 1025 1023 1009 1009 1021 1023 1020 1020 1016 1015 1022 1020 1025 1027 1015 1009 1024 1029 1035 1022 1022 1030 1022 1026 1009 1016 1026 1009 1024 1032 1030 1018 1031 1026 1020 1019 1028 1029 1029 1014 1024 1009 1048 1025 1020 1020 1022 1015 1021 1023 1018 1018 1020 1021 1021 1021 1009 1019 1029 1024 1024 1020 1023 1032 1021 1030 1031 1028 1024 1029 1023 1031 1029 1038 1012 1019 1017 1020 1016 1009 1025 1034 1027 1024 1035 1029 1009 1020 1009 1020 1014 1017 1030 1024 1030 1026 1026 1025 1029 1029 1029 1013 1027 1025 1012 1016 1020 1017 1029 1023 1039 1026 1028 1014 1017 1017 1029 1025 1025 1025 1009 1030 1024 1026 1022 1015 1015 1017 1020 1020 1024 1024 1013 1033 1033 1023 1020 1021 1024 1039 1020 1025 1031 1009 1024 1021.1 1017 1019 1028 1015 1032 1020 1021 1033 1022 1019 1027 1006 1021 1021 1008 1040 1041 1027.1 1034.1 1017 1015 1016 1022 1022 1022 1022 1024 1020 1024 1024 1010 1030 1028 1024 1028 1030 1020 1014 1024 1022 1020 1012 1016 1025 1022 1019 1024 1009 1019 1023 1025 1024 1021 1019 1020 1020 1020 1020 1015 1026 1029 1030 1030 1021 1028 1016 1015 1029.1 1009 1030 1013 1014 1018 1027 1031 1023 1024 1009 1025 1026 1021 1026 1027 1022.1 1021 1020 1026 1024 1033.7 1012 1024 1025 1018 1020 1015 1022 1009 1026 1030 1024 1030.3 1022 1009 1020 1022 1025 1021 1028 1025 1025 1009 1026 1018 1018 1031 1025 1021 1022 1009 1021 1028 1021 1021 1027 1029 1017 1017 1017 1009 1009 1024 1023 1038 1039 1009 1025 1030 1029 1019 1009 1033 1022 1020 1022 1024 1025 1031 1019 1024 1021 1020 1021 1020 1020 1024 1025 1026 1026 1023 1020 1020 1027 1020 1019 1030 1030 1039 1025 1022 1024 1012 1029 1023 1030 1019 1024 1029 1019 1020 1020 1027 1028 1022 1029 1032 1014.4 1020.3 1020.3 1021.1 1021.4 1020 1021 1020 1020 1020 1019 1020 1029 1024 1027 1030 1022 1019 1014 1020 1020 1030 1020 1021 1032 1019 1019 1020 1019 1019 1019 1016 1019 1020 1013 1019 1018 1030 1031 1019 1053 1021 1022 1024 1008 1020 1002.4
Other Experimental Properties Density: 0.8411 at 20 °C; BP: 176-176.4 °C (derived from lemon, bergamont, caraway, orange, and other oils)
Chemical Classes Biological Agents -> Terpenes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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 163
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

Dipentene appears as a colorless liquid with an odor of lemon. Flash point 113 °F. Density about 7.2 lb /gal and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent for rosin, waxes, rubber; as a dispersing agent for oils, resins, paints, lacquers, varnishes, and in floor waxes and furniture polishes.

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