Benzyl isobutyrate

  • Identifiers

    CAS number
    103-28-6

    Molecular formula
    C11H14O2

    SMILES
    CC(C)C(=O)OCC1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 1771.0

  • Odor profile

    fruity 97.9%
    sweet 81.62%
    floral 78.36%
    tropical 68.75%
    apricot 51.48%
    pineapple 51.46%
    berry 51.43%
    apple 49.57%
    plum 48.14%
    balsamic 45.29%

    Scent© AI

  • Properties

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

    Molecular weight
    178.23 g/mol

    Boiling points

    • 229.00 to 230.00 °C. @ 760.00 mm Hg

    Solubilities

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

  • Synonyms

    • Benzyl isobutyrate
    • 103-28-6
    • Benzyl 2-methylpropanoate
    • Phenylmethyl 2-methylpropanoate
    • Benzyl isobutanoate
    • Propanoic acid, 2-methyl-, phenylmethyl ester
    • ISOBUTYRIC ACID, BENZYL ESTER
    • Benzyl 2-methylpropionate
    • Benzyl 2-methyl propionate
    • FEMA No. 2141
    • Benzyl isobutyrate (natural)
    • Benzylester kyseliny isomaselne
    • EINECS 203-095-9
    • UNII-P98PE45V9M
    • Benzyl iso-butyrate
    • NSC 406201
    • BRN 1869299
    • P98PE45V9M
    • DTXSID6047602
    • AI3-02944
    • MFCD00048315
    • NSC-46112
    • NSC-406201
    • BENZYL ISOBUTYRATE [FCC]
    • DTXCID4027602
    • FEMA 2141
    • UIKJRDSCEYGECG-UHFFFAOYSA-
    • BENZYL ISOBUTYRATE [FHFI]
    • WLN: 1Y1 & VO1R
    • Benzylester kyseliny isomaselne [Czech]
    • Isobutyric Acid Benzyl Ester
    • Isobutyric acid-benzyl ester
    • Benzyl 2-methylpropanoate #
    • Benzyl 2-methylpropanoic acid
    • SCHEMBL112859
    • CHEMBL3561355
    • CHEBI:173823
    • Phenylmethyl 2-methylpropanoic acid
    • NSC46112
    • Tox21_303852
    • 2-methyl-propionic acid benzyl ester
    • NSC406201
    • AKOS005207085
    • Benzyl isobutyrate, >=97%, FCC, FG
    • 2-methylpropanoic acid phenylmethyl ester
    • NCGC00357266-01
    • BS-42196
    • CAS-103-28-6
    • SY049768
    • CS-0154334
    • I0424
    • NS00012005
    • D91147
    • Benzyl isobutyrate, natural (US), >=97%, FG
    • Q27286406
    • 203-095-9
1 4

Botanical

Name CAS Botanical Proportion
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.09%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.05%
Agathosma rosmarinifolia Agathosma rosmarinifolia (Bartl.) Williams, fam. Diosmea (Rutaceae) 0.5%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.13%
Tanacetum parthenium (The Netherlands) Tanacetum parthenium (L.) Schultz-Bip. (Feverfew), Asteraceae (Compositae) 0.01%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.1%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Blepharocalyx tweediei (Argentina) 1a leaf Blepharocalyx tweediei (Hook. et Arn.) Berg, fam. Myrtaceae 0.1%
Hedyosmum bonplandianum (Costa Rica) Hedyosmum bonplandianum Kunth, fam. Chloranthaceae 0.1%