Octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester

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  • Identifiers

    CAS number
    51532-26-4

    Molecular formula
    C18H32O2

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

  • Odor profile

    Floral 80.11%
    Rose 78.34%
    Fruity 69.72%
    Waxy 60.46%
    Green 52.21%
    Winey 44.25%
    Geranium 43.26%
    Oily 42.52%
    Sweet 42.5%
    Herbal 36.63%

    Scent© AI

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    8.01 (weak base)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point est.
    144.73 ˚C

  • Synonyms

    • Geranyl caprylate
    • Geranyl octanoate
    • 51532-26-4
    • Geranyl caprylate (natural)
    • [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
    • EINECS 257-256-3
    • Octanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • Octanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • Octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • (E)-3,7-Dimethyl-2,6-octadienyl octanoate
    • DTXSID40885959
    • WE(8:2(2E,6E)(3Me,7Me)/8:0)
    • ((2E)-3,7-dimethylocta-2,6-dienyl) octanoate
    • SCHEMBL756947
    • SCHEMBL756948
    • DTXCID50909953
    • CHEBI:196496
    • LMFA07010620
    • NS00057162
    • trans-3,7-Dimethyl-2,6-octadienyl octanoate
    • Q67879901
    • 257-256-3

  • Applications

    Octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester (also known as geranyl octanoate/geranyl caprylate, CAS 51532-26-4) is used primarily as a flavor and fragrance ingredient: it imparts floral (orange/rose), ripe fruity, creamy-waxy, and tropical facets; serves as a component and fixative/modifier in fine fragrances, air care, candles, soaps, shampoos, lotions, and other personal-care products; flavors beverages, confectionery, baked goods, dairy, and chewing gum with soft, long-lasting citrus–fruity notes; is employed in household cleaners to mask base odors and deliver a pleasant scent; is suitable for microencapsulation, polymer anchoring, or slow-release systems to extend aroma versus free geraniol due to lower volatility; is used as an intermediate for related aroma chemicals and as an analytical reference/QC standard; and can be sourced from bio-based geraniol and caprylic acid, aligning with natural-origin fragrance trends.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1594.22
    methanol 1100.68
    isopropanol 1255.88
    water 0.04
    ethyl acetate 2516.3
    n-propanol 1260.26
    acetone 1813.72
    n-butanol 1353.27
    acetonitrile 747.82
    DMF 1012.96
    toluene 983.94
    isobutanol 943.84
    1,4-dioxane 2275.87
    methyl acetate 1128.56
    THF 3372.73
    2-butanone 1839.24
    n-pentanol 1033.23
    sec-butanol 1387.38
    n-hexane 342.95
    ethylene glycol 29.06
    NMP 1211.55
    cyclohexane 683.12
    DMSO 1178.88
    n-butyl acetate 1599.76
    n-octanol 402.92
    chloroform 3195.59
    n-propyl acetate 1533.53
    acetic acid 617.17
    dichloromethane 3088.87
    cyclohexanone 2778.91
    propylene glycol 133.33
    isopropyl acetate 1699.71
    DMAc 1431.26
    2-ethoxyethanol 1083.25
    isopentanol 1296.18
    n-heptane 146.48
    ethyl formate 633.57
    1,2-dichloroethane 2178.02
    n-hexanol 896.7
    2-methoxyethanol 1270.69
    isobutyl acetate 929.43
    tetrachloromethane 453.57
    n-pentyl acetate 1097.92
    transcutol 4611.95
    n-heptanol 422.49
    ethylbenzene 554.33
    MIBK 1217.22
    2-propoxyethanol 1200.8
    tert-butanol 1635.73
    MTBE 2533.21
    2-butoxyethanol 758.53
    propionic acid 534.93
    o-xylene 567.64
    formic acid 91.19
    diethyl ether 2776.19
    m-xylene 637.87
    p-xylene 712.35
    chlorobenzene 1027.67
    dimethyl carbonate 230.07
    n-octane 51.7
    formamide 179.95
    cyclopentanone 1850.56
    2-pentanone 1944.2
    anisole 897.51
    cyclopentyl methyl ether 1941.65
    gamma-butyrolactone 1492.89
    1-methoxy-2-propanol 1149.81
    pyridine 1847.46
    3-pentanone 1261.4
    furfural 1104.12
    n-dodecane 31.46
    diethylene glycol 400.71
    diisopropyl ether 763.49
    tert-amyl alcohol 1576.13
    acetylacetone 1524.5
    n-hexadecane 38.28
    acetophenone 805.26
    methyl propionate 1072.94
    isopentyl acetate 1555.14
    trichloroethylene 3290.82
    n-nonanol 377.98
    cyclohexanol 1388.35
    benzyl alcohol 595.03
    2-ethylhexanol 692.51
    isooctanol 393.92
    dipropyl ether 1048.89
    1,2-dichlorobenzene 902.48
    ethyl lactate 367.74
    propylene carbonate 971.06
    n-methylformamide 404.25
    2-pentanol 1130.36
    n-pentane 215.15
    1-propoxy-2-propanol 1098.6
    1-methoxy-2-propyl acetate 1258.86
    2-(2-methoxypropoxy) propanol 771.28
    mesitylene 403.06
    ε-caprolactone 2061.45
    p-cymene 310.79
    epichlorohydrin 2455.59
    1,1,1-trichloroethane 1987.25
    2-aminoethanol 189.11
    morpholine-4-carbaldehyde 1391.47
    sulfolane 1533.43
    2,2,4-trimethylpentane 133.97
    2-methyltetrahydrofuran 3311.27
    n-hexyl acetate 1335.16
    isooctane 91.87
    2-(2-butoxyethoxy)ethanol 1124.23
    sec-butyl acetate 1234.87
    tert-butyl acetate 1555.07
    decalin 241.89
    glycerin 145.52
    diglyme 2087.5
    acrylic acid 269.49
    isopropyl myristate 414.82
    n-butyric acid 1498.06
    acetyl acetate 955.99
    di(2-ethylhexyl) phthalate 327.96
    ethyl propionate 1255.27
    nitromethane 1032.47
    1,2-diethoxyethane 2136.58
    benzonitrile 755.1
    trioctyl phosphate 227.42
    1-bromopropane 1678.34
    gamma-valerolactone 2372.67
    n-decanol 246.32
    triethyl phosphate 378.03
    4-methyl-2-pentanol 621.02
    propionitrile 798.2
    vinylene carbonate 708.02
    1,1,2-trichlorotrifluoroethane 1009.41
    DMS 622.32
    cumene 363.85
    2-octanol 352.23
    2-hexanone 1432.72
    octyl acetate 498.2
    limonene 625.35
    1,2-dimethoxyethane 2113.61
    ethyl orthosilicate 431.4
    tributyl phosphate 323.39
    diacetone alcohol 1206.38
    N,N-dimethylaniline 593.65
    acrylonitrile 602.86
    aniline 855.11
    1,3-propanediol 486.65
    bromobenzene 1166.62
    dibromomethane 2221.26
    1,1,2,2-tetrachloroethane 3002.52
    2-methyl-cyclohexyl acetate 834.98
    tetrabutyl urea 415.97
    diisobutyl methanol 386.58
    2-phenylethanol 627.49
    styrene 698.07
    dioctyl adipate 587.57
    dimethyl sulfate 303.37
    ethyl butyrate 1193.46
    methyl lactate 281.08
    butyl lactate 609.65
    diethyl carbonate 577.25
    propanediol butyl ether 555.65
    triethyl orthoformate 755.86
    p-tert-butyltoluene 289.94
    methyl 4-tert-butylbenzoate 657.78
    morpholine 3296.08
    tert-butylamine 1144.13
    n-dodecanol 177.01
    dimethoxymethane 1079.94
    ethylene carbonate 734.25
    cyrene 525.99
    2-ethoxyethyl acetate 1272.14
    2-ethylhexyl acetate 1243.49
    1,2,4-trichlorobenzene 1022.04
    4-methylpyridine 2022.7
    dibutyl ether 1082.64
    2,6-dimethyl-4-heptanol 386.58
    DEF 1771.66
    dimethyl isosorbide 1277.58
    tetrachloroethylene 1755.32
    eugenol 566.93
    triacetin 922.63
    span 80 706.99
    1,4-butanediol 173.01
    1,1-dichloroethane 2229.71
    2-methyl-1-pentanol 1062.06
    methyl formate 240.87
    2-methyl-1-butanol 1168.48
    n-decane 68.38
    butyronitrile 1207.32
    3,7-dimethyl-1-octanol 497.28
    1-chlorooctane 386.84
    1-chlorotetradecane 120.67
    n-nonane 68.42
    undecane 43.2
    tert-butylcyclohexane 194.06
    cyclooctane 149.96
    cyclopentanol 913.77
    tetrahydropyran 4207.94
    tert-amyl methyl ether 1669.9
    2,5,8-trioxanonane 1242.71
    1-hexene 1204.69
    2-isopropoxyethanol 916.51
    2,2,2-trifluoroethanol 120.4
    methyl butyrate 1643.84

    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
Palmarosa (India) 4 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 1.0%
Palmarosa (India) 5 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 1.29%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.1%
Palmarosa (India) 1 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.75%
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.05%
Cymbopogon khasianus (India) Cymbopogon khasianus (Munro ex Hack.) Bor, fam. Poaceae (Gramineae) 0.3%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.05%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.3%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%