Compound: P-CYMENE
SMILES: c1(ccc(C)cc1)C(C)C
InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
Synonyms: P-CYMENE, 4-Isopropyltoluene, 99-87-6, p-Isopropyltoluene, Dolcymene, 1-Isopropyl-4-methylbenzene, p-Cymol, Para-cymene, Camphogen, Paracymene, p-Methylcumene, 4-Cymene, 2-p-Tolylpropane, Cymol, Benzene, 1-methyl-4-(1-methylethyl)-, p-Cimene, 1-Methyl-4-isopropylbenzene, p-Methylisopropylbenzene, Paracymol, 4-Isopropyl-1-methylbenzene, 1-Methyl-4-(1-methylethyl)benzene, Cumene, p-methyl-, 4-Methylisopropylbenzene, 4-Methyl-1-isopropylbenzene, p-methyl cumene, p-Isopropylmethylbenzene, Isopropyltoluene, 1-methyl-4-(propan-2-yl)benzene, Benzene, 1-isopropyl-4-methyl-, 1-methyl-4-propan-2-ylbenzene, 4-Isopropyltoluol, FEMA No. 2356, 4-Cymol, DTXSID3026645, 4-methyl-1-(propan-2-yl)benzene, 1G1C8T1N7Q, NSC-4162, DTXCID006645, CHEBI:28768, RefChem:6093, 202-796-7, CYMENE, Cymene, p-, 4-Isopropylbenzyl radical, 1-isopropyl-4-methyl-Benzene, 4-methyl isopropylbenzene, p-Mentha-1,3,5-triene, NSC 4162, MFCD00008893, Methyl-4-(1-methylethyl)benzene, 1-Methyl-4-(1-methylethyl)-benzene, 1-Methyl-4-isopropyl benzene, 1-(1-methylethyl)-4-methylbenzene, BENZENE,1-ISOPROPYL,4-METHYL   P-CYMENE, 4939-75-7, 4-methyl-1-(methylethyl)benzene, para cymene, CAS-99-87-6, HSDB 5128, EINECS 202-796-7, UNII-1G1C8T1N7Q, rho-cymene, AI3-02272, p-methyl-Cumene, 4-lsopropyltoluene, MML, p-Cymene, 99%, p-Cymene [UN2046] [Flammable liquid], p-Cymene [UN2046]  [Flammable liquid], Carvacrol derivative, 8, P- Isopropylmethylbenzene, P-CYMENE [FHFI], P-CYMENE [HSDB], CYMENE [MART.], P-CYMENE [FCC], P-CYMENE [MI], bmse000503, EC 202-796-7, SCHEMBL1143, P-CYMENE [WHO-DD], SCHEMBL49949, orb104742, p-Cymene, analytical standard, SCHEMBL221706, SCHEMBL728252, p-Cymene, >=97%, FG, CHEMBL442915, SCHEMBL1006118, SCHEMBL1034270, SCHEMBL1492629, SCHEMBL2096221, SCHEMBL27521677, SCHEMBL27686929, NSC4162, BDBM248165, benzene, 1-methyl-4-methylethyl-, WLN: 1Y1 & R D1, Tox21_201932, Tox21_300338, EBC-46273, MSK000807, s5598, SBB060399, 1-methyl-4-(1-methylethyl) benzene, AKOS000121521, Benzene, 1-methyl-4(1-methylethyl)-, CCG-266123, FC36678, LMPR0102090014, p-Isopropyltoluene, analytical standard, MSK000807-1000M, NCGC00247998-01, NCGC00247998-02, NCGC00254425-01, NCGC00259481-01, AC-34132, AS-11012, NS00005157, S0664, ST51046586, EN300-21455, C06575, p-Cymene; 4-Methylisopropylbenzene; NSC 4162, F237717, Q284072, p-Isopropyltoluene Solution in Methanol, 1000ug/mL, p-Cymene, certified reference material, TraceCERT(R), F8889-6466, Z104497772, InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H
Theoretical properties:
molecular_formula: C10H14
molecular_weight: 134.22 g/mol
exact_mass: 134.109550447 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
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: Sweetish aromatic odor
boiling_point: 351 °F at 760 mmHg (USCG, 1999)
melting_point: -90.2 °F (USCG, 1999)
density: 0.857 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: In water, 23.4 mg/L at 25 °C
flash_point: 117 °F (USCG, 1999)
vapor_pressure: 1.46 [mmHg]
Descriptions:
pubchem: P-cymene is a monoterpene that is toluene substituted by an isopropyl group at position 4. It has a role as a volatile oil component, a plant metabolite and a human urinary metabolite. It is a member of toluenes and a monoterpene.
chebi: A monoterpene that is toluene substituted by an isopropyl group at position 4.
chembl: P-CYMENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: p-Cymene is a naturally occurring aromatic organic compound. It is classified as an alkylbenzene related to monocyclic monoterpenes. Its structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group. p-Cymene is insoluble in water, but miscible with organic solvents.