1.0 2010-04-08 22:05:44 UTC 2019-11-26 02:58:47 UTC FDB003277 2-Methylpropanoic acid Present in apple, morello cherry, guava fruit, wine grapes, pineapple, crispbread, other breads, cheeses, wines, scallop and several essential oils, e.g. Roman chamomile. Acid and simple esters used as flavouring agents Isobutyric acid is a carboxylic or short chain fatty acid with characteristic sweat-like smell. Small amount of isobutyrate is generated via microbial (gut) metabolism. Small amounts may also be found in certain foods or fermented beverages. There is anosmia (genetic inability to smell) for the odor of isobutyric acid with a frequency of about 2.5%. (OMIM 207000). Isobutyric acid is slightly soluble in water but much more soluble in ethanol, ether and organic solvents. Isobutyric acid can affect people if breathed in and may be absorbed through the skin. Contact can irritate and burn the skin and eyes. Breathing Isobutyric acid can irritate the nose, throat and lungs causing coughing, wheezing and/or shortness of breath.; Isobutyric acid is an isomer of n-butyric acid; they have the same chemical formula C4H8 O2 but a different structure.; Isobutyric acid, also known as 2-methylpropanoic acid, is a carboxylic acid with structural formula (CH3)2-CH-COOH. It is found in the free state in carobs (Ceratonia siliqua) and in the root of Arnica dulcis, and as an ethyl ester in croton oil. α-methylpropanoic acid α-methylpropionic acid 1iup 2-METHYL-propionate 2-METHYL-PROPIONIC ACID 2-Methylpropanoate 2-Methylpropionate 2-Methylpropionic acid 2-Methylpropionsaeure 2,2-Dimethylacetate 2,2-Dimethylacetic acid 533-90-4 (calcium salt) a-Isobutyrate a-Isobutyric acid A-methylpropanoate A-methylpropanoic acid A-methylpropionate A-methylpropionic acid Acetic acid, dimethyl- alpha-Isobutyrate alpha-Isobutyric acid Alpha-methylpropanoate Alpha-methylpropanoic acid Alpha-methylpropionate Alpha-methylpropionic acid ALQ Cenex RP b2 Dimethylacetate Dimethylacetic acid FEMA 2222 I-butyrate I-butyric acid ISB Iso-butyrate Iso-butyric acid iso-C3H7COOH Isobutanoate Isobutanoic acid Isobuttersaeure Isobutyrate Isobutyric acid Isobutyric acid [UN2529] [Flammable liquid] Isobutyric acid, 8CI Isopropylformate Isopropylformic acid Methylpropanoic acid Methylpropanoic acid, 2- Methylpropionic acid Propanoic acid, 2-methyl- Propionic acid, 2-methyl- Tenox EBP 2 Tenox IBP-2 Tenox IBP-2 Grain Pr Tenox IBP-2 Grain Pr. α-isobutyrate α-isobutyric acid α-methylpropanoate α-methylpropanoic acid α-methylpropionate α-methylpropionic acid C4H8O2 88.1051 88.0524295 2-methylpropanoic acid isobutyric acid 79-31-2 CC(C)C(O)=O InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) KQNPFQTWMSNSAP-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Carboxylic acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids branched-chain saturated fatty acid methyl-branched fatty acid short-chain fatty acid Liquid logp 0.78 ALOGPS logs 0.35 ALOGPS solubility 1.97e+02 g/l ALOGPS melting_point Fp -47° logp 1.02 ChemAxon pka_strongest_acidic 4.87 ChemAxon iupac 2-methylpropanoic acid ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles CC(C)C(O)=O ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) ChemAxon inchikey KQNPFQTWMSNSAP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 21.85 ChemAxon polarizability 9.12 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1648 Specdb::NmrTwoD 1711 Specdb::NmrOneD 1771 Specdb::NmrOneD 3986 Specdb::NmrOneD 4270 Specdb::NmrOneD 5010 Specdb::NmrOneD 5011 Specdb::MsMs 1762 Specdb::MsMs 1763 Specdb::MsMs 1764 Specdb::MsMs 5527 Specdb::MsMs 5528 Specdb::MsMs 5529 Specdb::MsMs 5530 Specdb::MsMs 5531 Specdb::MsMs 178164 Specdb::MsMs 178165 Specdb::MsMs 178166 Specdb::MsMs 180480 Specdb::MsMs 180481 Specdb::MsMs 180482 Specdb::MsMs 437945 Specdb::MsMs 437946 Specdb::MsMs 437947 Specdb::MsMs 2247847 Specdb::MsMs 2769896 Specdb::MsMs 2769897 Specdb::MsMs 2769898 Specdb::MsMs 2908338 Specdb::MsMs 2908339 Specdb::MsMs 2908340 Specdb::CMs 2448 Specdb::CMs 27747 Specdb::CMs 29454 Specdb::CMs 38160 Specdb::CMs 99715 Specdb::CMs 99716 Specdb::CMs 172260 Specdb::MsIr 1414 Specdb::MsIr 1415 Specdb::MsIr 1416 HMDB01873 16135 ALQ #<Reference:0x000055ce321c71d0> #<Reference:0x000055ce321c6fa0> #<Reference:0x000055ce321c6de8> #<Reference:0x000055ce321c6c30> Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Apricot Type 1 specific Prunus armeniaca 36596 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 2.0 2.0 2.0 mg/100 g Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Burdock Type 1 specific Arctium lappa 4217 Carob Type 1 specific Ceratonia siliqua 20340 950.0 950.0 950.0 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fruits Unknown generic Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 5.745714 15.87 1.0 uM Milk and milk products Unknown generic Mollusks Unknown generic 6447 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Orange bell pepper Type 1 specific Capsicum annuum 4072 Ostrich Type 1 specific Struthio camelus 8801 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Peppermint Type 1 specific Mentha X piperita 34256 0.0165 0.0165 0.0165 mg/100 g Pheasant Type 1 specific Phasianus colchicus 9054 Pomes Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red bell pepper Type 1 specific Capsicum annuum 4072 Red raspberry Type 1 specific Rubus idaeus 32247 Red wine Type 2 5.530525 11.05 0.01105 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Sweet bay Type 1 specific Laurus nobilis 85223 Tortilla chip Type 2 specific Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 White wine Type 2 6.257 6.257 6.257 mg/100 g Wild boar Type 1 specific Sus scrofa 9823 Wild carrot Type 1 specific Daucus carota 4039 Wild celery Type 1 specific Apium graveolens 4045 Yellow bell pepper Type 1 specific Capsicum annuum 4072 butter cheese rancid strawberry Irritant 1055 Transdermal 1374