| Identification | More | [Name]
Myrcene | [CAS]
123-35-3 | [Synonyms]
7-METHYL-3-METHYLEN-1,6-OCTADIENE
7-METHYL-3-METHYLENE-1,6-OCTADIENE
BETA-MYRCENE
FEMA 2762
MYRCENE
MYRCENE D
OIL
1,6-Octadiene, 7-methyl-3-methylene-
2-Methyl-6-methylene-2,7-octadiene
3-Methylene-7-methyl-1,6-octadiene
6-Octadiene,7-methyl-3-methylene-1
7-methyl-
7-methyl-3-methylene-1,6-octadiene (beta-myrcene)
7-methyl-3-methylene-6-octadiene
7-methyl-3-methyleneocta
7-Methyl-3-methylene-octa-1,6-diene
7-methyl-3-methyleneocta-1,6-diene
7-Methyl-3-methylene-octadiene
7-Methyl-3-methyleneoctadiene-(1,6)
beta-mircene | [EINECS(EC#)]
204-622-5 | [Molecular Formula]
C10H16 | [MDL Number]
MFCD00008908 | [Molecular Weight]
136.23 | [MOL File]
123-35-3.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless viscous liquid | [Melting point ]
<-10 °C | [Boiling point ]
167 °C (lit.) | [density ]
0.791 g/mL at 25 °C(lit.)
| [vapor density ]
4.7 (vs air)
| [vapor pressure ]
~7 mm Hg ( 20 °C)
| [FEMA ]
2762 | [refractive index ]
n20/D 1.469(lit.)
| [Fp ]
103 °F
| [storage temp. ]
2-8°C
| [solubility ]
water: soluble0.00109g/L at 20°C | [form ]
Viscous Liquid | [color ]
Clear light yellow | [Odor]
at 5.00 % in dipropylene glycol. peppery terpene spicy balsam plastic | [PH]
7 (H2O, 20℃)(saturated aqueous solution) | [Stability:]
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. | [Odor Type]
spicy | [Water Solubility ]
practically insoluble | [JECFA Number]
1327 | [Merck ]
6331 | [BRN ]
1719990 | [Dielectric constant]
2.0（Ambient） | [LogP]
4.82 at 30℃ | [CAS DataBase Reference]
123-35-3(CAS DataBase Reference) | [IARC]
2B (Vol. 119) 2019 | [NIST Chemistry Reference]
Beta-myrcene(123-35-3) | [EPA Substance Registry System]
123-35-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 2319 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
RG5365000
| [F ]
10-23 | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29012990 | [Safety Profile]
Low toxicity by
ingestion and skin contact. Experimental
reproductive effects. A moderate skin and
eye irritant. A flammable liquid. When
heated to decomposition it emits acrid
smoke and irritating fumes. | [Hazardous Substances Data]
123-35-3(Hazardous Substances Data) | [Toxicity]
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972). |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Linalool-->ALPHA-PINENE-->Hops Oil-->2,6-Octadiene, 1-iodo-3,7-dimethyl-, (Z)--->Benzene, [[(2E)-3,7-dimethyl-2,6-octadien-1-yl]thio]--->(2E)-3,7-Dimethyl-2,6-octadienyl methyl carbonate-->Terpinolene-->3,8-p-Menthadiene-->Bromomethanesulphonylbromide-->2,6-dimethylhepta-1,5-diene-->alpha-Terpinene-->Linalyl acetate-->DL-Limonene-->(S)-(-)-LIMONENE | [Preparation Products]
Linalool-->Geraniol-->1-methylene-4-(1-methylvinyl)cyclohexane-->2,6-DIMETHYL-2-OCTENE-->2,6-DIMETHYLOCTANE |
| Hazard Information | Back Directory | [General Description]
A yellow oily liquid with a pleasant odor. Flash point below 200°F. Insoluble in water and less dense than water. | [Reactivity Profile]
The unsaturated aliphatic hydrocarbons, such as MYRCENE, are generally much more reactive than the alkanes. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. In the presence of various catalysts (such as acids) or initiators, compounds in this class can undergo very exothermic addition polymerization reactions. Many of these compounds undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions have occurred at low temperatures in ammonia synthesis gas units. These explosions have been traced to the addition products of dienes and oxides of nitrogen, produced from the interaction of nitrogen oxide and oxygen [Bretherick, 1995]. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
May be harmful by inhalation, ingestion or skin absorption. | [Fire Hazard]
Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback. | [Description]
Myrcene has a pleasant odor. Prepared from linalool. | [Chemical Properties]
colourless viscous liquid | [Chemical Properties]
Myrcene has a pleasant, sweet, balsamic, plastic odor. | [Occurrence]
Reported found in Mircia acris D.C.; in the distillates from leaves of Rhus cotinus and Barosma venustum (52
and 43%, respectively); in lemongrass, cypress, artemisia; in the fruits of Phellodendron amurense (92%) and Phellodendron japonicum; in the oils of Picea balsamea, Tsuga canadenis, Abies balsamea, clary sage and others. Also reported in over 200 foods and
beverages including citrus peel oils and juices, apricot, sweet and sour cherry, berries, guava, pineapple, carrot, celery, potato, bell
pepper, black currants, anise, anise seed, cardamom, cinnamon, cassia, clove, capsicum varities, ginger, mentha oils, mace, parsley,
thyme, cheeses, cream, pork, hop oil, beer, white wine, rum, cocoa, coffee, tea, mango, tamarind, coriander, gin, sweet bay, prickly
pear, calamus, dill, lovage, caraway, buckwheat, corn, basil, fennel, kiwifruit, rosemary, myrtle berry, turmeric, lemon balm, sage,
pimento, angelica oil, Roman and German chamomile oil, eucalyptus and mastic gum oil | [Uses]
Found in oil of bay, verbena, hop, etc. Used as an intermediate in the manufacturing of perfume chemicals. | [Definition]
ChEBI: A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. | [Preparation]
From linalool | [Aroma threshold values]
Aroma characteristics at 10%: terpy, herbaceous, woody with a rosy celery and carrot nuance | [Taste threshold values]
Taste characteristics at 5 to 100 ppm: woody, vegetative, citrus fruity with a tropical mango and slight, leafy,
minty nuance | [Synthesis Reference(s)]
Journal of the American Chemical Society, 97, p. 3252, 1975 DOI: 10.1021/ja00844a073
The Journal of Organic Chemistry, 47, p. 4161, 1982 DOI: 10.1021/jo00142a031
Tetrahedron Letters, 25, p. 5193, 1984 DOI: 10.1016/S0040-4039(01)81561-6 | [Biochem/physiol Actions]
Odor at 1% | [Synthesis]
Myrcene occurs naturally in many organisms, but its extraction is uneconomic; it is produced industrially by pyrolysis of b-pinene. The fragmentation of linalool and linalyl acetate and the catalytic dimerization of isoprene have been described as laboratory synthesis methods of myrcene. | [storage]
Store at 4°C |
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