Myrcene

Molecule structure of Myrcene (CAS NO.123-35-3):

IUPAC Name: 7-Methyl-3-methylideneocta-1,6-diene 
Molecular Weight: 136.23404 g/mol
Molecular Formula: C₁₀H₁₆ 
Density: 0.769 g/cm³ 
Melting Point: -1.00E+01 deg C
Boiling Point: 167 °C at 760 mmHg 
Flash Point: 44.4 °C
Index of Refraction: 1.45
Molar Refractivity: 47.57 cm³
Molar Volume: 177 cm³
Polarizability: 18.85×10^-24 cm³
Surface Tension: 22.9 dyne/cm 
Enthalpy of Vaporization: 38.69 kJ/mol
Vapour Pressure: 2.29 mmHg at 25 °C 
Storage Temp.: 2-8 °C
Water Solubility: practically insoluble
XLogP3-AA: 4.3
Rotatable Bond Count: 4
Exact Mass: 136.125201
MonoIsotopic Mass: 136.125201
Heavy Atom Count: 10
Complexity: 145
Canonical SMILES: CC(=CCCC(=C)C=C)C
InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
EINECS: 204-622-5
Product Categories: Aroma Chemicals

 Myrcene is used for synthetic perfume.

It is obtained from the essential oil of the plants bay, verbena, myrcia (from which is gets its name) and others. It can also be synthesized by the pyrolysis of pinene.

Reported in EPA TSCA Inventory.

Hazard Codes: Xi
Risk Statements: 10-36/37/38 
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36-37/39 
S16:Keep away from sources of ignition. 
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
Hazardous Substances Data: 123-35-3(Hazardous Substances Data)
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.

 Myrcene (CAS NO.123-35-3) is also named as 1,6-Octadiene, 7-methyl-3-methylene- ; 2-Methyl-6-methylene-2,7-octadiene ; 3-Methylene-7-methyl-1,6-octadiene ; 4-01-00-01108 (Beilstein Handbook Reference) ; 7-Methyl-3-methylene-1,6-octadiene ; AI3-00738 ; BRN 1719990 ; CCRIS 3725 ; FEMA No. 2762 ; HSDB 1258 ; Myrcene (natural) ; NSC 406264 . Myrcene (CAS NO.123-35-3) is colourless viscous liquid. It is unstable and may be inhibited by the addition of ca. 400 ppm tenox GT-1 or 1000 ppm BHT. Myrcene is flammable and incompatible with strong oxidizing agents, radical initiators. It is insoluble in water. 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. It may be harmful by inhalation, ingestion or skin absorption. The vapor of Myrcene may travel considerable distance to a source of ignition and flashback.