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isobutyl acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM57835

Image of MNXM57835

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₆H₁₂O₂

charge

0

mass

116.08373

reference

InChIKey

GJRQTCIYDGXPES-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

SMILES

CC(=O)OCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50569 chebi:50569	isobutyl acetate 2-methyl-1-propyl acetate 2-methylpropyl acetate 2-methylpropyl ethanoate Essigsaeureisobutylester Isobutylacetat Isobutylazetat acetate d'isobutyle acetic acid, 2-methylpropyl ester acetic acid, isobutyl ester beta-methylpropyl ethanoate i-butyl acetate isobutyl ethanoate
hmdb:HMDB0031246	2-Methylpropyl acetate 2-Methyl-1-propanol, acetate 2-Methyl-1-propyl acetate 2-Methyl-1-propyl acetic acid 2-Methylpropyl acetate, 9ci 2-Methylpropyl acetic acid 2-Methylpropyl ethanoate 2-Methylpropyl ethanoic acid 2-methylpropyl acetate Acetate d'isobutyle Acetate, 2-methylpropyl ester Acetate, isobutyl ester Acetic acid d'isobutyle Acetic acid, 2-methylpropyl ester Acetic acid, isobutyl ester Essigsaeureisobutylester FEMA 2175 I-butyl acetate I-butyl acetic acid Isobutyl acetate Isobutyl acetate FCC Isobutyl acetate, 8ci Isobutyl acetic acid Isobutyl ethanoate Isobutyl ethanoic acid Isobutylacetat Isobutylacetate Isobutylazetat Isobutylester kyseliny octove b-Methylpropyl ethanoate b-Methylpropyl ethanoic acid beta -Methylpropyl ethanoate beta-Methylpropyl ethanoate beta-Methylpropyl ethanoic acid beta-methylpropyl ethanoate beta-methylpropyl ethanoic acid isobutyl acetate
seed.compound:cpd35763 seedM:cpd35763	2-methyl-1-propyl acetate 2-methylpropyl acetate 2-methylpropyl ethanoate isobutyl ethanoate
bigg.metabolite:ibutac biggM:ibutac sabiork.compound:28807 sabiorkM:28807	Isobutyl acetate
metacyc.compound:CPD-19628 metacycM:CPD-19628	isobutyl acetate 2-methyl-1-propyl acetate 2-methylpropyl acetate 2-methylpropyl ethanoate isobutyl ethanoate
seed.compound:cpd16884 seedM:cpd16884	isobutyl acetate ibutac
hmdb:HMDB31246 biggM:M_ibutac seedM:M_cpd16884 seedM:M_cpd35763	secondary/obsolete/fantasy identifier