Compound: BETA-PINENE
SMILES: C1(=C)C2C(C(C2)CC1)(C)C
InChIKey: WTARULDDTDQWMU-UHFFFAOYSA-N
Synonyms: BETA-PINENE, 127-91-3, Nopinene, 2(10)-Pinene, Terbenthene, Terebenthene, 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane, Pin-2(10)-ene, Pseudopinen, Nopinen, PINENE, BETA, DTXSID7027049, Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, Rosemarel, DTXCID507049, CHEBI:50025, 6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane, Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, 6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptane, RefChem:5603, 6,6-dimethyl-4-methylidenebicyclo(3.1.1)heptane, 204-872-5, 245-424-9, 4MS8VHZ1HJ, FEMA No. 2903, Pseudopinene, .beta.-Pinene, (-)-.beta.-Pinene, MFCD00063635, NSC21447, NSC59190, 2(10)-Pinene, (1S,5S)-(-)-, 2,6-Trimethylbicyclo[3.1.1]hept-2-ene, Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-, (1S)-(-)-.beta.-Pinene, beta pinene, 2beta-pinene, NSC-21447, NSC-59190, -Pinene, NSC-406265, _-Pinene, L-.beta.-Pinene, 6,6-dimethyl-2-methylene-norpinane, beta-Pinene (pure), laevo-.beta.-Pinene, Camphor EP Impurity C, SCHEMBL13300, CHEMBL501351, orb1299002, SCHEMBL1388342, .beta.-Pinene-(1S)-(-), GTPL13237, HMS5085K14, Tox21_200029, (1r)-(+)-pin-2(10)-ene, EBC-46169, MSK001673, NSC406265, SBB061306, AKOS004119987, AKOS016843693, DB15574, MSK001673-100M, MSK001673-1000M, NCGC00248498-01, NCGC00257583-01, CAS-127-91-3, FP146434, LS-13836, beta-Pinene 1000 microg/mL in Isopropanol, DB-041877, DB-065374, beta-Pinene Solution in Methanol, 100ug/mL, NS00003251, P0441, ST50330587, Beta -Pinene 1000 microg/mL in Isopropanol, beta-Pinene Solution in Methanol, 1000ug/mL, EN300-95729, 6,6-dimethyl-2-methylenecyclo[3.1.1]heptane, C09882, Q300928, 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane(|A-pinene), 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-, 177698-19-0
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: 0
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless transparent liquid
color: Colorless transparent liquid
odor: CHARACTERISTIC TURPENTINE ODOR; DRY, WOODY OR RESINOUS AROMA
boiling_point: 166 °C
melting_point: -61.5 °C
density: 0.860 at 25 °C
solubility: INSOL IN WATER; SOL IN ALC, ETHER, BENZENE, & OTHER SOLVENTS; VERY SOL IN CHLOROFORM /D- & L-ISOMER/
flash_point: Flash point : 88 °F
vapor_pressure: 2.93 [mmHg]
Descriptions:
pubchem: Beta-pinene is an isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. It has a role as a plant metabolite.
chebi: An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
chembl: BETA-PINENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pinene is a collection of unsaturated bicyclic monoterpenes. Two geometric isomers of pinene are found in nature, α-pinene and β-pinene. Both are chiral, and both contain a strained four-membered ring. As the name suggests, pinenes are found in pines. Specifically, pinene is the major component of the liquid extracts of conifers. Pinenes are also found in many non-coniferous plants such as camphorweed (Heterotheca) and big sagebrush (Artemisia tridentata).