1.02011-09-21 00:20:08 UTC2015-07-21 06:57:23 UTCFDB022820Monoisobutyl phthalic acidMonoisobutyl phthalic acid is a phthalate metabolite that has been found in human meconium and in semen (PMID: 16970347), saliva (PMID: 15995852), and urine (PMID: 15113553).
Phthalate esters are a family of multifunctional compounds widely used as plasticizers, solvents, or additives in many diverse products such as poly(vinyl chloride) (PVC) materials, pharmaceuticals and medical devices, pesticides, lubricants, and personal care products. Humans have been exposed to phthalates through the manufacture, ubiquitous use, and disposal of PVC materials and other phthalate-containing products. (PMID: 16970347) [HMDB]Isobutyl hydrogen phthalateMIBPMono-iso-butyl phthalateMonoisobutyl phthalateC12H14O4222.2372222.08920893630833-53-5CC(C)COC(=O)C1=CC=CC=C1C(O)=OInChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)RZJSUWQGFCHNFS-UHFFFAOYSA-NSolidaverage_mass222.2372mono_mass222.089208936smilesCC(C)COC(=O)C1=CC=CC=C1C(O)=OformulaC12H14O4inchiInChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)inchikeyRZJSUWQGFCHNFS-UHFFFAOYSA-NSpecdb::CMs10883Specdb::CMs38246Specdb::CMs133992Specdb::CMs141726Specdb::MsMs71511Specdb::MsMs71512Specdb::MsMs71513Specdb::MsMs130200Specdb::MsMs130201Specdb::MsMs130202Specdb::MsMs440579Specdb::MsMs452309Specdb::MsMs2226453Specdb::MsMs2233116Specdb::MsMs2682186Specdb::MsMs2682187Specdb::MsMs2682188Specdb::MsMs3027309Specdb::MsMs3027310Specdb::MsMs3027311HMDB02056#<Reference:0x0000555675b8d910>#<Reference:0x0000555675b8d6e0>#<Reference:0x0000555675b8d500>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823