Geraniol
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Geraniol
structure -
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CAS No:
106-24-1
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Formula:
C10H18O
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Chemical Name:
Geraniol
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Synonyms:
2,6-Octadien-1-ol,3,7-dimethyl-,(2E)-;2,6-Octadien-1-ol,3,7-dimethyl-,(E)-;(2E)-3,7-Dimethyl-2,6-octadien-1-ol;Geraniol;Geranyl alcohol;Lemonol;trans-3,7-Dimethyl-2,6-octadien-1-ol;trans-Geraniol;β-Geraniol;(E)-Geraniol;(E)-Nerol;(E)-3,7-Dimethyl-2,6-octadien-1-ol;NSC 9279;MosquitoSafe;3,7-Dimethyl-trans-2,6-octadien-1-ol;(E)-3,7-Dimethyl-2,6-octadienol;Geraniol BJ;Geraniol 60;Geraniol 980;trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene;TT 4228;TT 4302;Geraniol super;(E)-3,7-Dimethyl-2,6-octadien-1-ol;Geraniol Supra;ZIF-77;8007-13-4;491611-08-6
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CAS No:
Description
Geraniol has a characteristic rose-like odor The physical constants vary for the various commercial products, depending on the total geraniol content; specifc gravity and refractive index may be indicative of the purity of the product Commercial geraniol cannot be classifed according to its alcohol content, as most of the recurring impurities are alcoholic in nature (nerol, citronellol, tetrahydrogeraniol) Gas chromatography techniques may be usefully employed to determine the gera- niol conte
Characteristics
20.2
2.9
Clear colorless to pale yellow Liquid
0.8894 g/cm3 @ Temp: 20 °C
<-15 °C
230 °C @ Press: 760 Torr
216 °F
n20/D 1.474(lit.)
Practically insoluble in water
2-8°C
~0.2 mm Hg ( 20 °C)
5.31 (vs air)
The acute oral LD 50 value in rats was reported as 3.6 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964) and as 4.8 g/kg, while the iv UD 50 in rabbits was reported as 50 mg/kg (Yamawkai, 1962). The acute dermal LD 50 value in rabbits was reported as > 5 g/kg (Moreno, 1972).
Specific optical rotation: -2 to +2 degrees
Sweet rose odor
Taste threshold values: Taste characteristics at 10 ppm; sweet floral rose, citrus with fruity, waxy nuances
Safety Information
UN1230 - class 3 - PG 2 - Methanol, solution
1
36/37/38-43-41-36-52/53-38
26-36-24/25-36/37-61-36/37/39
RG5830000
Xi
Stable. Combustible. Incompatible with strong oxidizing agents.
P280-P305 + P351 + P338
H315-H317-H318
Geraniol Use and Manufacturing
Geraniol was used in field evaluation of synthetic herbivore-induced plant volatiles as attractants to beneficial insects.It was used to evaluate the tumor-suppressive potency of isoprenoids in vitro and in vivo.
Computed Properties
Molecular Weight:154.25
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:150
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Fragrance component and antimicrobial agent
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