CAS number
120-50-3

Molecular formula
C11H14O2

SMILES
CC(C)COC(=O)C1=CC=CC=C1

Retention indicies (RI)

• Carbowax: 1771.0

sweet	86.3%
fruity	84.97%
floral	77.82%
balsamic	75.13%
green	61.63%
rose	43.43%
herbal	42.59%
powdery	41.48%
cherry	39.01%
honey	37.43%

Scent© AI

XLogP3-AA
3.6 Well soluble in BB, DEP, IAA

Molecular weight
178.23 g/mol

Vapor pressure est.

• 0.03 hPa @ 20°C
• 0.0474 hPa @ 25°C

Evaporation rate
Moderately slow

Boiling points

• 242.00 °C. @ 760.00 mm Hg

Solubilities

• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

• Isobutyl benzoate
• 120-50-3
• 2-Methylpropyl benzoate
• BENZOIC ACID, 2-METHYLPROPYL ESTER
• Benzoic acid, isobutyl ester
• FEMA No. 2185
• Isobutyl benzoate (natural)
• Benzoic Acid Isobutyl Ester
• KQ6XZ9WJII
• NSC 6580
• EINECS 204-401-3
• BRN 2045961
• DTXSID6047074
• CHEBI:87500
• AI3-01267
• NSC-6580
• DTXCID4027074
• ISOBUTYL BENZOATE [FHFI]
• Benzoic acid, isobutyl ester (6CI,7CI,8CI)
• BENZOIC ACID ISO-BUTYL ESTER
• Benzoic acid-(2-methylpropyl) ester
• 2-Methylpropyl Ester Benzoic Acid
• UNII-KQ6XZ9WJII
• iso-butyl benzoate
• MFCD00048344
• Isobutyl benzoate, 99%
• Isobutyl benzoate, >=98%
• SCHEMBL298176
• (2-methyl-1-propyl) benzoate
• CHEMBL2260714
• ISOBUTYL BENZOATE [INCI]
• FEMA 2185
• NSC6580
• Tox21_302327
• AKOS015889452
• benzoic acid, 2,2-dimethylethyl ester
• BENZOIC ACID 2-METHYLPROPYL ESTER
• NCGC00256173-01
• AS-61775
• CAS-120-50-3
• DB-041561
• B0072
• CS-0187444
• NS00012673
• E77891
• Q27159676
• 204-401-3
• Benzoic acid, isobutyl ester (6CI,7CI,8CI); 2-Methylpropyl benzoate; Benzoic acid iso-butyl ester; Isobutyl benzoate; NSC 6580
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