Myrcene
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Myrcene
structure -
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CAS No:
123-35-3
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Formula:
C10H16
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Chemical Name:
Myrcene
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Synonyms:
1,6-Octadiene,7-methyl-3-methylene-;7-Methyl-3-methylene-1,6-octadiene;β-Myrcene;Myrcene;2-Methyl-6-methylene-2,7-octadiene;3-Methylene-7-methyl-1,6-octadiene;β-Geraniolene;NSC 406264;beta-Myrcene;2153-31-3
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CAS No:
Description
Myrcene has a pleasant, sweet, balsamic, plastic odor. colourless viscous liquidChEBI: A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.Myrcene has a pleasant odor. Prepared from linalool.A yellow oily liquid with a pleasant odor. Flash point below 200°F. Insoluble in water and less dense than water.
Characteristics
0
4.17
Clear light yellow Viscous Liquid
0.794 g/cm3 @ Temp: 20 °C
<-10 °C
167 °C @ Press: 760 Torr
103 °F
n 20/D 1.469(lit.)
Practically insoluble in water
2-8°C
~7 mm Hg ( 20 °C)
4.7 (vs air)
Both the acute oral LD 50 value in rats and the acute dermal LD 50 value in rabbits exceeded 5 g/kg (Moreno, 1972).
Pleasant
SWEET, CITRUS
Safety Information
III
3.2
UN 2319 3/PG 3
2
10-36/37/38-R36/37/38-R10-65-38
16-26-36-37/39-S37/39-S26-S16-62
RG5365000
Xi,Xn
Unstable - may be inhibited by the addition of ca. 400 ppm tenox GT-1 or 1000 ppm BHT. Flammable. Incompatible with strong oxidizing agents, radical initiators.
P210-P301 + P310-P305 + P351 + P338-P331-P370 + P378
H226-H304-H315-H319
Myrcene Use and Manufacturing
It is prepared from linalool as raw material. It is formed by the cracking of β-pinene at 160℃. It is derived from hop oil with a content of 30% to 35%.
Found in oil of bay, verbena, hop, etc. Used as an intermediate in the manufacturing of perfume chemicals.
Computed Properties
Molecular Weight:136.23
XLogP3:4.3
Rotatable Bond Count:4
Exact Mass:136.125200510
Monoisotopic Mass:136.125200510
Heavy Atom Count:10
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Possesses sedative and muscle-relaxant properties, aiding in stress and anxiety reduction.
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