Geranyl isobutyrate

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  • Identifiers

    CAS number
    2345-26-8

    Molecular formula
    C14H24O2

    SMILES
    CC(C)C(=O)OC/C=C(\C)/CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1514.0
    • Carbowax: 1794.33

  • Odor profile

    Fragrance
    Fruity 90.95%
    Floral 78.55%
    Sweet 77.99%
    Rose 77.01%
    Green 70.16%
    Citrus 62.23%
    Tropical 62.23%
    Waxy 56.26%
    Apple 54.0%
    Pear 49.31%

     

    Flavor
    Fruity 73.79%
    Sweet 65.37%
    Rose 62.14%
    Green 60.64%
    Floral 58.39%
    Tropical 44.9%
    Waxy 42.99%
    Bitter 41.99%
    Geranium 39.96%
    Apple 37.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.75 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 115.3 ˚C est.

    Solubility expt.

    • soluble in most organic solvents; insoluble in water

  • Synonyms

    • Geranyl isobutyrate
    • 2345-26-8
    • Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • FEMA No. 2513
    • Geraniol isobutyrate
    • Geranyl isobutyrate (natural)
    • (E)-3,7-Dimethylocta-2,6-dien-1-yl isobutyrate
    • EINECS 219-062-7
    • [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
    • AI3-32667
    • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-
    • 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-
    • P6D2F72907
    • 3,7-Dimethyl-2,6-octadien-1-yl isobutyrate, trans-
    • 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (E)-
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-
    • 3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate, trans-
    • GERANYL ISOBUTYRATE [FHFI]
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)
    • geranyl isobutanoate
    • trans-3-7-Dimethyl-2,6-octadienyl isobutyrate
    • ISOBUTYRIC ACID, GERANYL ESTER
    • PROPIONIC ACID, 2-METHYL-, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)
    • 3,7-Dimethyl-2,6-octadienyl isobutyrate
    • ((2E)-3,7-dimethylocta-2,6-dienyl) 2-methylpropanoate
    • UNII-P6D2F72907
    • MFCD00026442
    • SCHEMBL397326
    • SCHEMBL397327
    • DTXSID8051889
    • CHEBI:145741
    • AKOS015837557
    • LS-14344
    • NS00012492
    • Q27286284
    • Z762367552
    • (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-METHYLPROPANOATE
    • 219-062-7

  • Applications

    Geranyl isobutyrate (CAS number: 2345-26-8) is primarily used as a fragrance ingredient in perfumery, providing fruity-floral notes that contribute to compositions across fine and mass-market products. It is also employed in cosmetics and personal care formulations as a fragrance component and odor profile enhancer. In household products such as air fresheners and cleaners, it delivers a characteristic scent and can function as an odorant rather than a fixative. Additionally, it serves as an intermediate in fragrance synthesis for developing new aroma compounds and is used in industrial manufacturing wherever controlled scent profiles are required. Depending on formulation and regulatory considerations, it may be evaluated for use in flavor formulations in certain contexts.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1187.32
    methanol 810.03
    isopropanol 976.95
    water 0.24
    ethyl acetate 1654.88
    n-propanol 832.95
    acetone 916.43
    n-butanol 1096.71
    acetonitrile 808.17
    DMF 574.83
    toluene 825.78
    isobutanol 711.84
    1,4-dioxane 1977.17
    methyl acetate 906.43
    THF 2067.29
    2-butanone 1067.88
    n-pentanol 901.0
    sec-butanol 1193.92
    n-hexane 550.51
    ethylene glycol 37.78
    NMP 649.66
    cyclohexane 563.98
    DMSO 442.87
    n-butyl acetate 1349.97
    n-octanol 434.33
    chloroform 3031.63
    n-propyl acetate 1015.74
    acetic acid 700.87
    dichloromethane 2372.07
    cyclohexanone 1410.57
    propylene glycol 129.48
    isopropyl acetate 1139.6
    DMAc 906.05
    2-ethoxyethanol 871.66
    isopentanol 1219.2
    n-heptane 176.72
    ethyl formate 519.7
    1,2-dichloroethane 1409.48
    n-hexanol 1031.17
    2-methoxyethanol 895.04
    isobutyl acetate 718.38
    tetrachloromethane 535.25
    n-pentyl acetate 753.76
    transcutol 3348.11
    n-heptanol 464.8
    ethylbenzene 626.52
    MIBK 795.81
    2-propoxyethanol 1064.74
    tert-butanol 1562.98
    MTBE 2410.36
    2-butoxyethanol 699.23
    propionic acid 463.35
    o-xylene 550.8
    formic acid 128.4
    diethyl ether 2069.45
    m-xylene 595.37
    p-xylene 834.18
    chlorobenzene 837.01
    dimethyl carbonate 176.52
    n-octane 69.03
    formamide 207.81
    cyclopentanone 956.51
    2-pentanone 1107.62
    anisole 862.17
    cyclopentyl methyl ether 1198.26
    gamma-butyrolactone 872.23
    1-methoxy-2-propanol 784.97
    pyridine 1172.56
    3-pentanone 755.56
    furfural 826.61
    n-dodecane 42.78
    diethylene glycol 406.02
    diisopropyl ether 718.55
    tert-amyl alcohol 1656.36
    acetylacetone 912.08
    n-hexadecane 49.76
    acetophenone 717.87
    methyl propionate 691.75
    isopentyl acetate 1297.1
    trichloroethylene 2567.05
    n-nonanol 418.69
    cyclohexanol 983.38
    benzyl alcohol 553.61
    2-ethylhexanol 733.72
    isooctanol 427.99
    dipropyl ether 838.42
    1,2-dichlorobenzene 767.13
    ethyl lactate 287.79
    propylene carbonate 674.49
    n-methylformamide 264.67
    2-pentanol 1045.28
    n-pentane 310.16
    1-propoxy-2-propanol 907.25
    1-methoxy-2-propyl acetate 940.32
    2-(2-methoxypropoxy) propanol 726.72
    mesitylene 395.05
    ε-caprolactone 1282.58
    p-cymene 319.89
    epichlorohydrin 1518.74
    1,1,1-trichloroethane 1808.46
    2-aminoethanol 192.4
    morpholine-4-carbaldehyde 984.73
    sulfolane 750.94
    2,2,4-trimethylpentane 193.39
    2-methyltetrahydrofuran 2097.73
    n-hexyl acetate 995.95
    isooctane 143.31
    2-(2-butoxyethoxy)ethanol 994.95
    sec-butyl acetate 952.5
    tert-butyl acetate 1140.58
    decalin 288.6
    glycerin 148.17
    diglyme 1634.96
    acrylic acid 274.39
    isopropyl myristate 349.57
    n-butyric acid 1088.35
    acetyl acetate 804.11
    di(2-ethylhexyl) phthalate 297.79
    ethyl propionate 835.96
    nitromethane 783.46
    1,2-diethoxyethane 1565.41
    benzonitrile 680.59
    trioctyl phosphate 201.61
    1-bromopropane 1268.57
    gamma-valerolactone 1300.6
    n-decanol 299.58
    triethyl phosphate 333.38
    4-methyl-2-pentanol 627.05
    propionitrile 662.36
    vinylene carbonate 552.48
    1,1,2-trichlorotrifluoroethane 776.47
    DMS 513.62
    cumene 421.21
    2-octanol 363.41
    2-hexanone 1016.77
    octyl acetate 434.16
    limonene 521.91
    1,2-dimethoxyethane 1745.62
    ethyl orthosilicate 385.86
    tributyl phosphate 280.11
    diacetone alcohol 869.42
    N,N-dimethylaniline 577.88
    acrylonitrile 529.36
    aniline 655.08
    1,3-propanediol 439.79
    bromobenzene 978.83
    dibromomethane 1760.34
    1,1,2,2-tetrachloroethane 2266.63
    2-methyl-cyclohexyl acetate 713.02
    tetrabutyl urea 304.49
    diisobutyl methanol 379.55
    2-phenylethanol 623.49
    styrene 708.86
    dioctyl adipate 463.8
    dimethyl sulfate 221.82
    ethyl butyrate 928.34
    methyl lactate 197.91
    butyl lactate 424.45
    diethyl carbonate 555.01
    propanediol butyl ether 498.19
    triethyl orthoformate 606.33
    p-tert-butyltoluene 302.18
    methyl 4-tert-butylbenzoate 543.18
    morpholine 2255.49
    tert-butylamine 1267.29
    n-dodecanol 214.91
    dimethoxymethane 625.84
    ethylene carbonate 517.01
    cyrene 461.78
    2-ethoxyethyl acetate 851.77
    2-ethylhexyl acetate 1069.69
    1,2,4-trichlorobenzene 884.75
    4-methylpyridine 1387.03
    dibutyl ether 804.32
    2,6-dimethyl-4-heptanol 379.55
    DEF 1081.6
    dimethyl isosorbide 1024.44
    tetrachloroethylene 1399.85
    eugenol 497.46
    triacetin 686.67
    span 80 627.24
    1,4-butanediol 185.7
    1,1-dichloroethane 1735.96
    2-methyl-1-pentanol 1057.59
    methyl formate 180.82
    2-methyl-1-butanol 1074.28
    n-decane 89.49
    butyronitrile 1062.89
    3,7-dimethyl-1-octanol 554.46
    1-chlorooctane 381.53
    1-chlorotetradecane 133.83
    n-nonane 87.69
    undecane 58.2
    tert-butylcyclohexane 276.28
    cyclooctane 177.53
    cyclopentanol 592.58
    tetrahydropyran 2325.05
    tert-amyl methyl ether 1611.18
    2,5,8-trioxanonane 971.15
    1-hexene 1226.49
    2-isopropoxyethanol 749.21
    2,2,2-trifluoroethanol 160.8
    methyl butyrate 1089.87

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.05%
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Hop (Nugget cultivar) (USA) 8007-04-3 Humulus lupulus L., cultivar Nugget, fam. Cannabaceae 0.86%
Hop (Cascade cultivar) (USA) 8007-04-3 Humulus lupulus L., cultivar Cascade, fam. Cannabaceae 2.05%
Hop (Galena cultivar) (USA) 8007-04-3 Humulus lupulus L., cultivar Galena, fam. Cannabaceae 2.58%
Hop (Styrian cultivar) (USA) 8007-04-3 Humulus lupulus L., cultivar Styrian, fam. Cannabaceae 0.85%
Hop (Willamette cultivar) (USA) 8007-04-3 Humulus lupulus L., cultivar Willamette, fam. Cannabaceae 0.51%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.44%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.35%
Wormwood (Mugwort) (Italy) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.15%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Palmarosa (India) 1 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.1%
Lemon verbena (Morocco) 1 Aloysia triphylla (L'Herit.) Britton (Lippia citriodora (Lam.) O. Kuntze) 0.9%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 3.53%
Abies nephrolepsis (China) Abies nephrolepsis (Trautr.) Maxim., fam. Pinaceae 0.1%
Michelia alba flower absolute (China) Michelia alba DC., fam. Magnoliaceae 0.18%
Citron (China) peel 1b Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.06%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.1%
Cymbopogon nardus, var. confertiflorus Cymbopogon naruds (L.) Rendle, var., confertiflorus (Steud.), fam. Poaceae 0.05%
Palmarosa (India) 8 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia Burk., fam. Poaceae 0.2%
Palmarosa (India) 10a Spikelet 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.06%
Palmarosa (India) 10c Spathe 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.08%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.1%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.02%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.1%