Compound: 1-methyl-4-prop-1-en-2-ylcyclohexene
SMILES: C1(=CCC(C(=C)C)CC1)C
InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
Synonyms: 1-methyl-4-prop-1-en-2-ylcyclohexene, RefChem:1055817, LIMONENE, Dipentene, 138-86-3, Cinene, Cajeputene, DL-Limonene, Kautschin, Dipenten, Eulimen, Nesol, Limonen, (+/-)-Limonene, p-Mentha-1,8-diene, 1,8-p-Menthadiene, Cajeputen, Cinen, alpha-Limonene, Cyclohexene, 1-methyl-4-(1-methylethenyl)-, Flavor orange, Orange flavor, 1-Methyl-4-(1-methylethenyl)cyclohexene, Inactive limonene, 1-Methyl-4-isopropenyl-1-cyclohexene, Acintene DP dipentene, 7705-14-8, 4-Isopropenyl-1-methyl-1-cyclohexene, Dipanol, Unitene, Goldflush II, Acintene DP, 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Di-p-mentha-1,8-diene, 1,8(9)-p-Menthadiene, 4-Isopropenyl-1-methylcyclohexene, DL-4-Isopropenyl-1-methylcyclohexene, Limonene, dl-, p-Mentha-1,8-diene, dl-, Limonene, (+/-)-, MENTHA-1,8-DIENE (DL), .alpha.-Limonene, NSC 21446, PC 560, Mentha-1,8-diene, 4-isopropenyl-1-methyl-cyclohexene, MFCD00062992, .delta.-1,8-Terpodiene, DTXSID2029612, 9MC3I34447, NCGC00163742-03, d,l-Limonene, Dipentene 200, (+-)-Dipentene, DTXCID209612, (+-)-Linonene, Caswell No. 526, Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-, delta-1,8-Terpodiene, (+-)-alpha-Limonene, Dipentene, crude, Limonene 1000 microg/mL in Isopropanol, CAS-138-86-3, HSDB 1809, NSC 844, p-Mentha-1,8-diene, (+-)-, Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-, EINECS 205-341-0, EINECS 231-732-0, UN2052, 1-Methyl-p-isopropenyl-1-cyclohexene, DL-p-mentha-1,8-diene, DIPENTENE (+-), EPA Pesticide Chemical Code 079701, Terpodiene, Ciene, Cyclil decene, AI3-00739, UNII-9MC3I34447, Achilles dipentene, 1-Methyl-4-isopropenylcyclohexene, Dipentene, tech., p-Mentha-1, dl-, d(R)-4-Isopropenyl-1-methylcyclohexene, D-IPENTENE, (.+-.)-Limonene, (.+-.)-Dipentene, LIMONENE [HSDB], LIMONENE [MI], (.+/-.)-Dipentene, (.+/-.)-Limonene, DIPENTENE [VANDF], (1)-1-Methyl-4-(1-methylvinyl)cyclohexene, Cinene/(+/-)-Limonene, Mentha-1,8-diene, DL, (+-)-(RS)-limonene, Dipentene, technical grade, DIPENTEN [WHO-DD], Cyclohexene, (.+-.)-, Dipentene, p.a., 95%, SCHEMBL8829, p-Mentha-1,8(9)-diene, orb105243, orb320325, CHEMBL15799, SCHEMBL797520, Methyl-4-isopropenylcyclohexene, NSC844, SCHEMBL2770109, SCHEMBL2770289, SCHEMBL2941361, SCHEMBL7738008, (.+/-.)-.alpha.-Limonene, SCHEMBL23728206, (+/-)-p-Mentha-1,8-diene, CHEBI:15384, p-Mentha-1, (.+-.)-, HMS3264E05, HMS5085O04, Pharmakon1600-00307080, Methyl-4-isopropenyl-1-cyclohexene, HY-N0544, NSC21446, Tox21_112068, Tox21_201818, Tox21_303409, c0626, NSC757069, STK801934, 1-methyl-4-isopropenylcyclohex-1-ene, LIMONENE, (+/-)- [II], AKOS009031280, Cyclohexene, 4-Isopropenyl-1-methyl-, Methyl-4-(1-methylethenyl)cyclohexene, WLN: L6UTJ A1 DY1 & U1, CCG-214016, FC74144, FS-8076, p-Mentha-1,8-diene, (.+/-.)-, SB44847, UN 2052, (R)-(+)-Limonene, sum of enantiomers, NCGC00163742-01, NCGC00163742-02, NCGC00163742-04, NCGC00163742-05, NCGC00257291-01, NCGC00259367-01, turpentine oil terpenes limonene fraction, DA-75016, FO175251, NCI60_041856, 1-methyl-4-(1-methylethenyl) cylcohexene, 1-methyl-4-(1-methylethenyl)-cyclohexene, 1-methyl-4-(prop-1-en-2-yl)cyclohexene, 4-(1-methylethenyl)-1-methyl-cyclohexene, Dipentene [UN2052]  [Flammable liquid], 1-methyl-4-(1-methylvinyl)cyclohex-1-ene, Cyclohexene, 1-methyl-4-(1-methylethynyl), DB-053490, DB-072716, CS-0009072, L0046, NS00067923, ST51046654, (+/-)-Limonene, mixture of various terpenes, EN300-21627, C06078, D00194, E88572, AB01563249_01, F046838, Q278809, SR-01000872759, CYCLOHEXENE 1-METHYL-4-(1-METHYLETHENYL)-, SR-01000872759-1, TERPIN MONOHYDRATE IMPURITY C [EP IMPURITY], BRD-A81494260-001-02-5, (+/-)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE, 4B4F06FC-8293-455D-8FD5-C970CDB001EE, Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%
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: 1
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Pleasant lemon-like
boiling_point: 352 °F at 760 mmHg (USCG, 1999)
melting_point: -40 °F (USCG, 1999)
density: 0.842 at 69.8 °F (USCG, 1999) - Less dense than water; will float
solubility: In water, 7.57 mg/L at 25 °C
flash_point: 115 °F (USCG, 1999)
vapor_pressure: 1.55 [mmHg]
Descriptions:
pubchem: Limonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. It has a role as a human metabolite. It is a cycloalkene and a p-menthadiene.
chebi: A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.