Compound: 4-isopropylbenzaldehyde
SMILES: O=Cc1ccc(C(C)C)cc1
InChIKey: WTWBUQJHJGUZCY-UHFFFAOYSA-N
Synonyms: 4-isopropylbenzaldehyde, cuminaldehyde, 122-03-2, cumaldehyde, cuminic aldehyde, cuminal, p-cumic aldehyde, Cumic aldehyde, Cuminyl aldehyde, Benzaldehyde, 4-(1-methylethyl)-, P-ISOPROPYLBENZALDEHYDE, p-Isopropylbenzenecarboxaldehyde, 4-(1-Methylethyl)benzaldehyde, 4-(Propan-2-Yl)Benzaldehyde, 4-propan-2-ylbenzaldehyde, P-isopropyl benzaldehyde, FEMA No. 2341, DTXSID9021974, O0893NC35F, NSC-4886, DTXCID601974, CHEBI:28671, RefChem:34020, 204-516-9, Benzaldehyde, p-isopropyl-, p-Cuminic aldehyde, 4-(Methylethyl)benzaldehyde, 4-Isopropylbenzenecarboxylate, MFCD00006953, Cumin aldehyde, NSC 4886, p-isopropyl-Benzaldehyde, 4-Isopropyl-benzaldehyde, CHEMBL161577, EINECS 204-516-9, BRN 0636547, Cuminadlehyde, Cuminaldehyd, Cumal, UNII-O0893NC35F, AI3-01853, 4-(1-methylethyl)-benzaldehyde, 4-iPr-Benzaldehyde, 4isopropylbenzaldehyde, Cuminaldehyde, 98%, 4-i-propylbenzaldehyde, p-iso-Propylbenzaldehyde, 4(isopropyl)benzaldehyde, 4-isopropyl benzaldehyde, Cuminaldehyde (Standard), 4-(isopropyl)benzaldehyde, p-Isopropylbenzaldehyde, f, 4(2-propyl)-benzaldehyde, CUMINALDEHYDE [MI], bmse000508, EC 204-516-9, CUMINALDEHYDE [FHFI], SCHEMBL87226, 4-07-00-00723 (Beilstein Handbook Reference), p-(1-methylethyl)benzaldehyde, 4-Isopropylphenylcarboxaldehyde, CUMINIC ALDEHYDE [FCC], (4-isopropyl-phenyl)-methanone, orb1299816, SCHEMBL3027502, SCHEMBL27717499, WLN: VHR DY1 & 1, HY-Y0790R, NSC4886, Cuminaldehyde, analytical standard, HY-Y0790, Cuminaldehyde, >=98%, FCC, FG, Tox21_300712, BDBM50139366, EBC-04047, s5089, SBB040237, STL194065, AKOS000119738, AC-2430, CCG-266191, Cuminal  p-(1-methylethyl)benzaldehyde, FI29085, NCGC00248148-01, NCGC00257518-01, AS-12957, CAS-122-03-2, DB-041645, CS-0015770, I0168, NS00004437, ST50213395, EN300-19901, C06577, D70801, F225406, Q419952, doi:10.14272/WTWBUQJHJGUZCY-UHFFFAOYSA-N.1, F2190-0632, Z104476006, InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H
Theoretical properties:
molecular_formula: C10H12O
molecular_weight: 148.20 g/mol
exact_mass: 148.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 235.5 °C
density: 0.973-0.981
solubility: 282 mg/L @ 20 °C (exp)
Descriptions:
pubchem: Cuminaldehyde is a member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities. It has a role as an insecticide, a volatile oil component and a plant metabolite. It derives from a hydride of a cumene.
chebi: A member of the class of  benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.
chembl: CUMINALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cuminaldehyde (4-isopropylbenzaldehyde) is a natural organic compound with the molecular formula C10H12O.  It is a benzaldehyde with an isopropyl group substituted in the 4-position.