2.02012-07-30 14:55:11 -06002015-09-13 15:15:31 -0600ECMDB21277M2MDB001684PropanalPropanal or propionaldehyde is the aldehyde of the 3 carbon propyl group. It has a chemical formula of CH3CH2CHO, and is a structural isomer of propanone. At room temperature, it is a colourless liquid with a slightly irritating, fruity odour.; It is principally used as a precursor to trimethylolethane (CH3C(CH2OH)3) through a condensation reaction with formaldehyde; this triol is an important intermediate in the production of alkyd resins. Other applications include reduction to propanol and oxidation to propionic acid.1-Propanal1-PropanoneAldehyde propioniqueC2H5CHOMethylacetaldehydeN-PropanalN-PropionaldehydePropaldehydePropanalPropanalaldehydePropanaldehydePropionalPropionaldehydePropionic aldehydeProprionaldehydePropyl aldehydePropylaldehydePropylic aldehydeC3H6O58.079158.041864814propanalpropionaldehyde123-38-6CCC=OInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3NBBJYMSMWIIQGU-UHFFFAOYSA-NLiquidCytosolExtra-organismPeriplasmlogp0.31logs0.40solubility1.46e+02 g/lmelting_point-80 oClogp0.32pka_strongest_acidic17.32pka_strongest_basic-6.9iupacpropanalaverage_mass58.0791mono_mass58.041864814smilesCCC=OformulaC3H6OinchiInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3inchikeyNBBJYMSMWIIQGU-UHFFFAOYSA-Npolar_surface_area17.07refractivity16.35polarizability6.36rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs3380Specdb::CMs28076Specdb::CMs99811Specdb::CMs173884Specdb::EiMs1697Specdb::NmrOneD1959Specdb::NmrOneD3821Specdb::NmrOneD4086Specdb::NmrOneD166546Specdb::MsMs2271Specdb::MsMs2272Specdb::MsMs2273Specdb::MsMs5922Specdb::MsMs20798Specdb::MsMs20799Specdb::MsMs20800Specdb::MsMs22349Specdb::MsMs22350Specdb::MsMs22351Specdb::MsMs2775551Specdb::MsMs2775552Specdb::MsMs2775553Specdb::MsMs2905821Specdb::MsMs2905822Specdb::MsMs2905823Specdb::NmrTwoD1892HMDB03366527512C0047917153CPD-665PNLPropanalHolley AE, Walker MK, Cheeseman KH, Slater TF: Measurement of n-alkanals and hydroxyalkenals in biological samples. Free Radic Biol Med. 1993 Sep;15(3):281-9.8406128Sakura N, Nishimura S, Fujita N, Namera A, Yashiki M, Kojima T: Determination of acrolein in human urine by headspace gas chromatography and mass spectrometry. J Chromatogr B Biomed Sci Appl. 1998 Nov 20;719(1-2):209-12.9869381Takamoto S, Sakura N, Yashiki M, Kojima T: Determination of acrolein by headspace solid-phase microextraction gas chromatography and mass spectrometry. J Chromatogr B Biomed Sci Appl. 2001 Jul 5;758(1):123-8.11482731Nakashima K, Hidaka Y, Yoshida T, Kuroda N, Akiyama S: High-performance liquid chromatographic determination of short-chain aliphatic aldehydes using 4-(N,N-dimethylaminosulphonyl)-7-hydrazino-2,1, 3-benzoxadiazole as a fluorescence reagent. J Chromatogr B Biomed Appl. 1994 Nov 18;661(2):205-10.7894659Wang, Yan-bin; Yao, Xiao-ming. Development of the process of making propanal from natural gas and light oil. Tianranqi Huagong (2003), 28(1), 8-10,14. http://hmdb.ca/system/metabolites/msds/000/002/947/original/HMDB03366.pdf?1358461361Aldehyde dehydrogenase BP37685ALDB_ECOLIaldBhttp://ecmdb.ca/proteins/P37685.xml4-hydroxy-2-oxovalerate aldolaseP51020HOA_ECOLImhpEhttp://ecmdb.ca/proteins/P51020.xmlOuter membrane protein NP77747OMPN_ECOLIompNhttp://ecmdb.ca/proteins/P77747.xmlOuter membrane pore protein EP02932PHOE_ECOLIphoEhttp://ecmdb.ca/proteins/P02932.xmlOuter membrane protein FP02931OMPF_ECOLIompFhttp://ecmdb.ca/proteins/P02931.xmlOuter membrane protein CP06996OMPC_ECOLIompChttp://ecmdb.ca/proteins/P06996.xmlWater + NADP + Propanal >2 Hydrogen ion + NADPH + Propionic acidPropanal + Pyruvic acid <> 4-Hydroxy-2-oxohexanoic acidR05298