1.0 2010-04-08 22:05:44 UTC 2020-09-17 15:35:59 UTC FDB003275 2-Methylpropyl acetate Acetic acid-2-methyl-propyl ester or 2-methylpropyl acetate or 2-methylpropyl ethanoate, also known as isobutylacetate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Isobutyl acetate is a clear, colorless liquid that is only slightly soluble in water (0.7 g/100 mL). Isobutyl acetate is produced from the esterification of isobutanol with acetic acid. Industrially, it is used as a solvent for lacquer and nitrocellulose. It is found naturally in many fruits such as raspberries and pears. Isobutyl aceteate has a sweet, apple, tropical, banana aroma and a similar fruity taste. At higher concentrations the odor can be unpleasant and may cause symptoms of central nervous system depression such as nausea, dizziness and headache. Isobutyl acetate has been detected, but not quantified in, several different fruits, such as muskmelons, sweet bay, asian pears, cocoa beans, figs, papaya and pineapple. This could make isobutyl acetate a potential biomarker for the consumption of these foods. &beta;-methylpropyl ethanoate 2-Methyl-1-propanol, acetate 2-Methyl-1-propyl acetate 2-Methyl-1-propyl acetic acid 2-Methylpropyl acetate, 9CI 2-Methylpropyl ethanoate 2-Methylpropyl ethanoic acid Acetate d'isobutyle Acetate, 2-methylpropyl ester Acetate, isobutyl ester Acetic acid d'isobutyle Acetic acid, 2-methylpropyl ester Acetic acid, isobutyl ester b-Methylpropyl ethanoate b-Methylpropyl ethanoic acid beta -Methylpropyl ethanoate Beta-methylpropyl ethanoate beta-Methylpropyl ethanoic acid Essigsaeureisobutylester FEMA 2175 I-butyl acetate I-butyl acetic acid Isobutyl acetate Isobutyl acetate [UN1213] [Flammable liquid] Isobutyl acetate FCC Isobutyl acetate, 8CI Isobutyl ethanoate Isobutyl ethanoic acid Isobutylacetat Isobutylazetat Isobutylester kyseliny octove β-methylpropyl ethanoate β-methylpropyl ethanoic acid C6H12O2 116.1583 116.083729628 2-methylpropyl acetate isobutyl acetate 110-19-0 CC(C)COC(C)=O InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 GJRQTCIYDGXPES-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound acetate ester Liquid logp 1.74 ALOGPS logs -1.18 ALOGPS solubility 7.71e+00 g/l ALOGPS melting_point Fp -98.85° logp 1.17 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylpropyl acetate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CC(C)COC(C)=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 ChemAxon inchikey GJRQTCIYDGXPES-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.16 ChemAxon polarizability 13.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4253 Specdb::MsIr 4254 Specdb::CMs 2481 Specdb::CMs 26952 Specdb::CMs 26953 Specdb::CMs 26977 Specdb::CMs 27048 Specdb::CMs 27828 Specdb::CMs 28054 Specdb::CMs 28233 Specdb::CMs 28614 Specdb::CMs 100670 Specdb::CMs 100671 Specdb::CMs 100672 Specdb::CMs 100673 Specdb::CMs 100674 Specdb::CMs 100675 Specdb::CMs 100676 Specdb::CMs 100677 Specdb::CMs 154711 Specdb::MsMs 51546 Specdb::MsMs 51547 Specdb::MsMs 51548 Specdb::MsMs 163125 Specdb::MsMs 163126 Specdb::MsMs 163127 Specdb::MsMs 2784412 Specdb::MsMs 2784413 Specdb::MsMs 2784414 Specdb::MsMs 2921383 Specdb::MsMs 2921384 Specdb::MsMs 2921385 Specdb::NmrOneD 4436 Specdb::NmrOneD 4554 Specdb::NmrOneD 163149 Specdb::NmrOneD 163150 Specdb::NmrOneD 163151 Specdb::NmrOneD 163152 Specdb::NmrOneD 163153 Specdb::NmrOneD 163154 Specdb::NmrOneD 163155 Specdb::NmrOneD 163156 Specdb::NmrOneD 163157 Specdb::NmrOneD 163158 Specdb::NmrOneD 163159 Specdb::NmrOneD 163160 Specdb::NmrOneD 163161 Specdb::NmrOneD 163162 Specdb::NmrOneD 163163 Specdb::NmrOneD 163164 Specdb::NmrOneD 163165 Specdb::NmrOneD 163166 Specdb::NmrOneD 163167 Specdb::NmrOneD 163168 HMDB31246 50569 #<Reference:0x000055ce32bce340> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Beer Type 2 specific 0.615 0.615 0.615 mg/100 g Cocoa bean Type 1 specific Theobroma cacao 3641 Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Muskmelon Type 1 specific Cucumis melo 3656 Papaya Type 1 specific Carica papaya 3649 Pear Type 1 specific Pyrus communis 23211 Pineapple Type 1 specific Ananas comosus 4615 Red wine Type 2 26.77675 53.5 0.0535 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 Sweet bay Type 1 specific Laurus nobilis 85223 apple banana bitter ethereal fruit fruity sweet tropical Irritant 1055 Narcotic 1139 A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.