Compound: MYRCENE
SMILES: C(C=C)(=C)CCC=C(C)C
InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
Synonyms: MYRCENE, 123-35-3, beta-Myrcene, 7-Methyl-3-methylene-1,6-octadiene, 1,6-Octadiene, 7-methyl-3-methylene-, 7-methyl-3-methylideneocta-1,6-diene, beta-geraniolene, 3-Methylene-7-methyl-1,6-octadiene, FEMA No. 2762, NSC-406264, 3M39CZS25B, DTXSID6025692, DTXCID205692, CHEBI:17221, RefChem:6044, 204-622-5, 2-methyl-6-methylene-1,7-octadiene, 7-Methyl-3-methyleneocta-1,6-diene, .beta.-Myrcene, 2-Methyl-6-methylene-2,7-octadiene, b-Myrcene, .beta.-Geraniolene, MFCD00008908, b-Geraniolene, beta -myrcene, 7-Methyl-3-methylene-octa-1,6-diene, NSC 406264, b-Myrcene (>90%), Myrcene (stabilized with BHT), 7-Methyl-3-methyleneoctadiene-(1,6), beta-Myrcene 1000 microg/mL in Isopropanol, Myrcene (natural), Methyl 5(Z),8(Z),11(Z),14(Z),17(Z),20(Z)-Tricosahexaenoate, 1312442-38-8, 29463-45-4, CCRIS 3725, HSDB 1258, EINECS 204-622-5, BRN 1719990, UNII-3M39CZS25B, Myrcene Natural, AI3-00738, beta -mircene, Myrcene (Standard), Myrcene, .beta.-, Myrcene - 75%, MYRCENE [FHFI], MYRCENE [HSDB], Myrcene, technical grade, MYRCENE [FCC], Myrcene Natural ex Orange, Myrcene analytical standard, ?-Myrcene (>90%), EC 204-622-5, Myrcene, analytical standard, SCHEMBL21622, 1, 7-methyl-3-methylene-, 4-01-00-01108 (Beilstein Handbook Reference), .BETA.-MYRCENE [MI], CHEMBL455491, orb1301447, SCHEMBL7761169, .BETA.-MYRCENE [IARC], SCHEMBL28148364, FEMA 2762, HY-N0803R, HY-N0803, MSK40224, WLN: 1Y1&U3YU1&1U1, Tox21_300351, BBL036906, NSC406264, STL477735, 1,6-octadiene,7-methyl-3-methylene-, AKOS015904015, 3-Methylene-7-methyl-1, 6-octadiene, EBC-616971, FM59691, LMPR0102010005, Mycrene 1000 microg/mL in Isopropanol, Myrcene 1000 microg/mL in Isopropanol, NCGC00091420-01, NCGC00091420-02, NCGC00254252-01, CAS-123-35-3, Myrcene, >=95%, stabilized, FCC, FG, SY050165, VS-13772, M0235, NS00005804, 7-Methyl-3-methylene-1,6-octadiene (myrcene), C06074, E80785, EN300-187797, |A-Myrcene; 7-Methyl-3-methylene-1,6-octadiene, F242803, Myrcene, primary pharmaceutical reference standard, Q424577, 7-Methyl-3-methylene-1,6-octadiene (beta -myrcene), InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H, N6Q
Theoretical properties:
molecular_formula: C10H16
molecular_weight: 136.23 g/mol
exact_mass: 136.125200510 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 4
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow, oily liquid
color: Yellow, oily liquid
odor: Pleasant
boiling_point: 332.6 °F at 760 mmHg (USCG, 1999)
melting_point: < -10 °C
density: 0.794 at 20 °C/4 °C
solubility: Soluble in alcohol, chloroform, ether, glacial acetic acid
flash_point: 103 °F (USCG, 1999)
vapor_pressure: 4.61 mmHg (USCG, 1999)
Descriptions:
pubchem: beta-Myrcene can cause cancer according to The National Toxicology Program.
chebi: A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.
chembl: MYRCENE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Myrcene, or β-myrcene, is a monoterpene. A colorless oil, it occurs widely in essential oils.  It is produced mainly semi-synthetically from Myrcia, from which it gets its name. It is an intermediate in the production of several fragrances. A less-common isomeric form, having one of the three alkene units in a different position, is α-myrcene.