Compound: SALICYLALDEHYDE
SMILES: O=Cc1c(O)cccc1
InChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-N
Synonyms: SALICYLALDEHYDE, 2-Hydroxybenzaldehyde, 90-02-8, o-Hydroxybenzaldehyde, o-Formylphenol, 2-Formylphenol, Salicylal, Salicylic aldehyde, Benzaldehyde, 2-hydroxy-, Salicyladehyde, FEMA No. 3004, DTXSID1021792, 17K64GZH20, NSC-49178, DTXCID001792, CHEBI:16008, NSC-83559, NSC-83560, NSC-83561, NSC-83562, NSC-97202, NSC-112278, RefChem:6210, 201-961-0, Benzaldehyde, o-hydroxy-, Salicylaldehyd, Salizylaldehyd, 2-HYDROXY-BENZALDEHYDE, MFCD00003317, NSC 49178, 2-hydroxy benzaldehyde, CHEMBL108925, Benzaldehyde, hydroxy-, salicyl aldehyde, CAS-90-02-8, 27761-48-4, 2-Hydroxy(formyl-~13~C)benzaldehyde, CCRIS 7451, HSDB 721, EINECS 201-961-0, 2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde, BRN 0471388, UNII-17K64GZH20, salicylylaldehyde, AI3-02174, 28777-87-9, hydroxylbenzaldehyde, hydroxy benzaldehyde, Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity D; Dembrexine Impurity D, hydroxyl benzaldehyde, 2-hyroxy-benzaldehyde, o-hydroxy benzaldehyde, Salicylaldehyde, 8CI, 2- hydroxybenzaldehyde, 2'-Hydroxybenzaldehyde, WLN: VHR BQ, bmse000677, EC 201-961-0, SALICYLALDEHYDE [MI], SCHEMBL15395, SALICYLALDEHYDE [FCC], 4-08-00-00176 (Beilstein Handbook Reference), SALICYLALDEHYDE [FHFI], SALICYLALDEHYDE [HSDB], SCHEMBL671168, SCHEMBL709610, Salicylaldehyde, >=98%, FG, SCHEMBL2998047, SCHEMBL4456247, SCHEMBL5200892, SCHEMBL11035984, SCHEMBL21828847, SCHEMBL29386538, FEMA 3004, MSK1696, Salicylaldehyde, p.a., 99.0%, CS-D1188, GNA45802, NSC49178, Salicylaldehyde, analytical standard, Tox21_201737, Tox21_302929, BDBM50139367, MSK1696-100A, NSC187662, Salicylaldehyde, reagent grade, 98%, SBB040225, STL194289, AKOS000119187, 2-hydroxybenzaldehyde (salicylaldehyde), Dembrexine Hydrochloride EP Impurity D, EBC-443046, FS34067, NSC-187662, NCGC00249108-01, NCGC00256460-01, NCGC00259286-01, AS-13997, NS00013184, S0275, Salicylaldehyde, redist., >=99.0% (GC), ST50213374, EN300-18033, Salicylaldehyde(Discontinued,See C4X-25751), C06202, F169200, Q414492, Salicylaldehyde Solution in Acetonitrile, 100ug/mL, Z57127523, F2190-0607, InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9, 29734-89-2
Theoretical properties:
molecular_formula: C7H6O2
molecular_weight: 122.12 g/mol
exact_mass: 122.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Bitter, almond-like odor
boiling_point: 386 °F at 760 mmHg (USCG, 1999)
melting_point: 19.4 °F (USCG, 1999)
density: 1.1674 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Solubility in water, 1.7X10+4 mg/L at 86 °C
flash_point: 172 °F (USCG, 1999)
vapor_pressure: 1.09 mmHg at 90 °F (USCG, 1999)
Descriptions:
pubchem: Salicylaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 2. It has a role as a nematicide and a plant metabolite.
chebi: A hydroxybenzaldehyde carrying a hydroxy substituent at position 2.
chembl: SALICYLADEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Salicylic aldehyde (2-hydroxybenzaldehyde) is an organic compound with the formula C6H4OH(CHO). Along with 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde, it is one of the three isomers of hydroxybenzaldehyde. This colorless oily liquid has a bitter almond odor at higher concentration. Salicylaldehyde is a precursor to coumarin and a variety of chelating agents.