CAS mumber
539-90-2

Molecular formula
C8H16O2

SMILES
CCCC(=O)OCC(C)C

Retention indicies (RI)

• DB5: 963.0
• Carbowax: 1154.67

XLogP3-AA
2.3 Well soluble in DEP, BB, MMB

Molecular weight
144.21 g/mol

Boiling points

• 156.90 °C. @ 760.00 mm Hg

Solubilities

• soluble in most fixed oils; slightly soluble in water; insoluble in glycerol
• 1 ml in 8 ml 60% alcohol (in ethanol)

Scent© AI

Odor	Probability
fruity	98.19%
sweet	79.33%
pineapple	76.48%
apple	76.03%
banana	67.05%
ethereal	61.1%
tropical	58.98%
green	51.42%
ripe	51.26%
pear	49.29%

• Isobutyl butyrate
• 539-90-2
• 2-Methylpropyl butanoate
• Isobutyl butanoate
• Isobutyl n-butyrate
• Butanoic acid, 2-methylpropyl ester
• 2-Methylpropyl butyrate
• Isobutyl-n-butyrate
• BUTYRIC ACID, ISOBUTYL ESTER
• Butanoic acid, isobutyl ester
• 2-Methyl-1-propyl butyrate
• n-Butyric acid isobutyl ester
• Isobutyl butyrate (natural)
• FEMA No. 2187
• Butyric Acid Isobutyl Ester
• EINECS 208-729-8
• UNII-827NDQ0P0W
• NSC 406938
• BRN 1747322
• 827NDQ0P0W
• iso-Butyl n-butyrate
• AI3-11267
• NSC-406938
• ISOBUTYL BUTYRATE [FCC]
• Isobutyl ester of butanoic acid
• DTXSID8047557
• CHEBI:87683
• FEMA 2187
• ISOBUTYL N-BUTYRATE [MI]
• Butanoic acid, methyl propyl ester
• isobutylbutyrate
• Isobutylbutyrat
• MFCD00027134
• Isobutyl butanoic acid
• Isobutyl N-butyric acid
• Butyrate, isobutyl ester
• Butanoate, isobutyl ester
• 2-Methylpropyl butyric acid
• 2-Methylpropyl butanoic acid
• SCHEMBL126524
• Butanoate, methyl propyl ester
• Butanoate, 2-methylpropyl ester
• 2-Methyl-1-propyl butyric acid
• CHEMBL4648429
• DTXCID6027557
• WLN: 3VO1Y1&1
• butyric acid 2-methyl-propyl ester
• LMFA07010728
• NSC406938
• STL280532
• Isobutyl butyrate, analytical standard
• AKOS015965026
• Isobutyl butyrate, >=98%, FCC, FG
• LS-13512
• B0761
• NS00012674
• F87459
• Isobutyl butyrate, natural, >=98%, FCC, FG
• Q26840842
• 208-729-8