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

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  • Identifiers

    CAS number
    73019-15-5

    Molecular formula
    C17H30O2

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

  • Odor profile

    Rose 77.14%
    Floral 77.08%
    Fruity 76.72%
    Waxy 57.36%
    Green 53.14%
    Winey 46.4%
    Geranium 44.0%
    Sweet 42.07%
    Apple 41.93%
    Tropical 40.64%

    Scent© AI

  • Properties

    XLogP3-AA
    5.9

    Molecular weight
    266.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point est.
    140.0 ˚C

  • Synonyms

    • Geranyl heptanoate
    • 73019-15-5
    • geranyl-n-heptanoate
    • [(2E)-3,7-dimethylocta-2,6-dienyl] heptanoate
    • Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • (E)-3,7-Dimethyl-2,6-octadienyl heptanoate
    • DTXSID00888360
    • WE(8:2(2E,6E)(3Me,7Me)/7:0)
    • SCHEMBL7707399
    • SCHEMBL7707401
    • Heptanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • DTXCID901027640
    • LMFA07010619
    • FA(17:2)
    • Q67879900
    • 615-889-6

  • Applications

    Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester (commonly known as geranyl heptanoate; CAS 73019-15-5) is a favored fragrance–flavor ester delivering ripe fruity, citrus–floral, mildly green-herbal and slightly waxy nuances that add smoothness, diffusion, and lift across top-to-heart notes; it is therefore applied in fine fragrances and colognes, citrus accords, rose/geranium themes, tropical and stone-fruit constructs, as well as in personal care (body wash, shampoo, lotions, deodorants) and home care (soaps, detergents, fabric softeners, candles, wax melts, air care) to impart fresh cleanliness and mask base odors; in flavor applications, it can function at very low levels in beverages, confectionery, baked goods, and cultured dairy, particularly enhancing citrus, pear, peach, and pineapple profiles; in formulation R&D it blends well with terpenes, citral, linalool, ionones, and linear C8–C10 aldehydes, acting as a rounder that balances citrus–floral–fruity facets; technically, it shows good solubility in alcohol and perfume oils and compatibility with many surfactants, but may hydrolyze under strong alkaline/high-heat conditions, so product-matrix stability should be verified; it can be sourced synthetically or from natural origins depending on labeling standards, and its use should follow IFRA guidance and applicable local flavor/fragrance regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1517.05
    methanol 1150.66
    isopropanol 1130.08
    water 0.05
    ethyl acetate 2222.87
    n-propanol 1171.39
    acetone 1670.75
    n-butanol 1275.05
    acetonitrile 769.31
    DMF 1075.09
    toluene 1035.97
    isobutanol 876.16
    1,4-dioxane 2140.98
    methyl acetate 1050.29
    THF 3052.98
    2-butanone 1693.56
    n-pentanol 973.53
    sec-butanol 1275.23
    n-hexane 356.64
    ethylene glycol 36.68
    NMP 1296.45
    cyclohexane 616.09
    DMSO 1206.7
    n-butyl acetate 1499.47
    n-octanol 373.33
    chloroform 3347.39
    n-propyl acetate 1317.66
    acetic acid 648.33
    dichloromethane 3126.31
    cyclohexanone 2577.13
    propylene glycol 144.89
    isopropyl acetate 1453.55
    DMAc 1435.1
    2-ethoxyethanol 1003.09
    isopentanol 1216.6
    n-heptane 133.09
    ethyl formate 606.59
    1,2-dichloroethane 2155.27
    n-hexanol 902.66
    2-methoxyethanol 1229.98
    isobutyl acetate 826.96
    tetrachloromethane 451.18
    n-pentyl acetate 937.95
    transcutol 4393.38
    n-heptanol 398.71
    ethylbenzene 549.02
    MIBK 1069.66
    2-propoxyethanol 1172.64
    tert-butanol 1499.3
    MTBE 2274.43
    2-butoxyethanol 710.6
    propionic acid 546.1
    o-xylene 562.04
    formic acid 108.43
    diethyl ether 2490.56
    m-xylene 641.49
    p-xylene 701.56
    chlorobenzene 1055.56
    dimethyl carbonate 235.84
    n-octane 44.46
    formamide 207.21
    cyclopentanone 1776.45
    2-pentanone 1770.36
    anisole 889.06
    cyclopentyl methyl ether 1801.3
    gamma-butyrolactone 1449.97
    1-methoxy-2-propanol 1077.18
    pyridine 1834.53
    3-pentanone 1211.88
    furfural 1127.59
    n-dodecane 27.55
    diethylene glycol 425.0
    diisopropyl ether 682.23
    tert-amyl alcohol 1494.28
    acetylacetone 1410.9
    n-hexadecane 33.57
    acetophenone 785.96
    methyl propionate 1024.54
    isopentyl acetate 1443.79
    trichloroethylene 3490.4
    n-nonanol 349.5
    cyclohexanol 1322.76
    benzyl alcohol 604.44
    2-ethylhexanol 677.53
    isooctanol 361.72
    dipropyl ether 923.79
    1,2-dichlorobenzene 926.59
    ethyl lactate 351.55
    propylene carbonate 937.79
    n-methylformamide 413.77
    2-pentanol 1041.9
    n-pentane 216.12
    1-propoxy-2-propanol 1051.69
    1-methoxy-2-propyl acetate 1169.36
    2-(2-methoxypropoxy) propanol 755.04
    mesitylene 393.25
    ε-caprolactone 1897.28
    p-cymene 296.06
    epichlorohydrin 2365.04
    1,1,1-trichloroethane 1971.64
    2-aminoethanol 211.1
    morpholine-4-carbaldehyde 1388.44
    sulfolane 1548.22
    2,2,4-trimethylpentane 130.54
    2-methyltetrahydrofuran 3052.42
    n-hexyl acetate 1181.81
    isooctane 88.42
    2-(2-butoxyethoxy)ethanol 1067.99
    sec-butyl acetate 1070.34
    tert-butyl acetate 1362.05
    decalin 235.26
    glycerin 164.74
    diglyme 1940.14
    acrylic acid 297.29
    isopropyl myristate 376.17
    n-butyric acid 1384.3
    acetyl acetate 900.08
    di(2-ethylhexyl) phthalate 315.35
    ethyl propionate 1117.38
    nitromethane 1056.26
    1,2-diethoxyethane 1917.37
    benzonitrile 770.91
    trioctyl phosphate 214.77
    1-bromopropane 1623.7
    gamma-valerolactone 2202.08
    n-decanol 230.5
    triethyl phosphate 355.53
    4-methyl-2-pentanol 566.42
    propionitrile 779.4
    vinylene carbonate 712.19
    1,1,2-trichlorotrifluoroethane 1061.51
    DMS 609.67
    cumene 357.84
    2-octanol 316.93
    2-hexanone 1330.94
    octyl acetate 456.09
    limonene 584.68
    1,2-dimethoxyethane 1944.88
    ethyl orthosilicate 402.62
    tributyl phosphate 312.87
    diacetone alcohol 1094.65
    N,N-dimethylaniline 592.95
    acrylonitrile 628.12
    aniline 891.18
    1,3-propanediol 496.03
    bromobenzene 1192.35
    dibromomethane 2233.22
    1,1,2,2-tetrachloroethane 3093.16
    2-methyl-cyclohexyl acetate 779.17
    tetrabutyl urea 385.51
    diisobutyl methanol 354.4
    2-phenylethanol 642.78
    styrene 702.17
    dioctyl adipate 543.27
    dimethyl sulfate 321.66
    ethyl butyrate 1065.68
    methyl lactate 282.52
    butyl lactate 555.71
    diethyl carbonate 543.23
    propanediol butyl ether 539.86
    triethyl orthoformate 677.35
    p-tert-butyltoluene 277.14
    methyl 4-tert-butylbenzoate 613.57
    morpholine 3062.39
    tert-butylamine 1075.5
    n-dodecanol 164.32
    dimethoxymethane 1013.28
    ethylene carbonate 701.49
    cyrene 518.44
    2-ethoxyethyl acetate 1123.19
    2-ethylhexyl acetate 1152.63
    1,2,4-trichlorobenzene 1059.75
    4-methylpyridine 2002.81
    dibutyl ether 938.79
    2,6-dimethyl-4-heptanol 354.4
    DEF 1692.71
    dimethyl isosorbide 1225.21
    tetrachloroethylene 1820.49
    eugenol 547.33
    triacetin 854.06
    span 80 680.34
    1,4-butanediol 183.04
    1,1-dichloroethane 2176.52
    2-methyl-1-pentanol 1017.82
    methyl formate 253.21
    2-methyl-1-butanol 1131.29
    n-decane 59.27
    butyronitrile 1135.16
    3,7-dimethyl-1-octanol 469.78
    1-chlorooctane 349.61
    1-chlorotetradecane 108.87
    n-nonane 59.06
    undecane 37.75
    tert-butylcyclohexane 186.94
    cyclooctane 143.42
    cyclopentanol 862.55
    tetrahydropyran 3751.01
    tert-amyl methyl ether 1537.2
    2,5,8-trioxanonane 1200.44
    1-hexene 1216.96
    2-isopropoxyethanol 850.88
    2,2,2-trifluoroethanol 129.83
    methyl butyrate 1463.78

    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
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.09%
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.05%
Palmarosa (India) 6 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.1%
Palmarosa (India) 8 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia Burk., fam. Poaceae 0.05%
Palmarosa (India) 10a Spikelet 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.05%
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 0.6%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.05%