Citronellyl heptanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    72934-17-9

    Molecular formula
    C17H32O2

    SMILES
    CCCCCCC(=O)OCCC(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Floral 85.25%
    Rose 79.44%
    Fruity 72.62%
    Waxy 59.11%
    Green 49.76%
    Sweet 44.87%
    Geranium 44.38%
    Oily 43.72%
    Winey 43.08%
    Herbal 42.34%

     

    Flavor
    Floral 57.55%
    Fruity 54.92%
    Waxy 54.09%
    Rose 48.41%
    Oily 43.42%
    Green 40.15%
    Sweet 38.84%
    Geranium 35.53%
    Herbal 35.31%
    Tropical 33.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.82 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 133.67 ˚C est.

  • Synonyms

    • Citronellyl heptanoate
    • Citronellol heptanoate
    • SCHEMBL19900625
    • JZTNHMKNNVAGPD-UHFFFAOYSA-N
    • 3,7-Dimethyloct-6-en-1-yl heptanoate
    • Heptanoic acid, 3,7-dimethyl-6-octenyl ester
    • Heptanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • 72934-17-9

  • Applications

    Citronellyl heptanoate (CAS 72934-17-9) is a fragrance ester with a citrus–rose, soft fruity, slightly green character, used as a perfuming and modifying ingredient in fine fragrances, personal care (shower gels, shampoos, creams), soaps, detergents, fabric softeners, household cleaners, and air care (room sprays, candles, reed diffusers); it smooths sharp edges, extends the freshness of citrus top notes, and bridges into floral hearts—especially rose/herbal accords—supporting fruity–floral–green compositions and blending well with terpenic esters (linalyl/geranyl acetate), citronellol, musks, and woods; it suits alcohol- or oil-based fragrance concentrates and microencapsulated systems for laundry, shows good formulation stability under typical conditions, and is valued for masking base odors in scented cleaners, with usage levels to be validated against IFRA guidance and applicable regional regulations for commercial deployment.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4104.27
    methanol 2797.86
    isopropanol 3246.06
    water 0.06
    ethyl acetate 4921.87
    n-propanol 3219.56
    acetone 4522.11
    n-butanol 3268.12
    acetonitrile 2004.74
    DMF 2193.0
    toluene 1851.69
    isobutanol 2428.31
    1,4-dioxane 4637.52
    methyl acetate 2357.7
    THF 6658.94
    2-butanone 4033.05
    n-pentanol 2240.32
    sec-butanol 3322.24
    n-hexane 893.74
    ethylene glycol 77.67
    NMP 2138.55
    cyclohexane 1564.62
    DMSO 2400.01
    n-butyl acetate 3383.07
    n-octanol 896.57
    chloroform 5971.47
    n-propyl acetate 3057.77
    acetic acid 1421.46
    dichloromethane 5552.55
    cyclohexanone 5765.14
    propylene glycol 304.46
    isopropyl acetate 3244.57
    DMAc 2218.26
    2-ethoxyethanol 2109.77
    isopentanol 2924.18
    n-heptane 335.89
    ethyl formate 1433.16
    1,2-dichloroethane 3986.5
    n-hexanol 2075.98
    2-methoxyethanol 2646.85
    isobutyl acetate 1773.15
    tetrachloromethane 954.66
    n-pentyl acetate 2176.24
    transcutol 7729.01
    n-heptanol 885.63
    ethylbenzene 992.6
    MIBK 2348.4
    2-propoxyethanol 2454.66
    tert-butanol 3635.4
    MTBE 5345.78
    2-butoxyethanol 1464.07
    propionic acid 1190.38
    o-xylene 1023.51
    formic acid 194.97
    diethyl ether 5951.93
    m-xylene 1152.52
    p-xylene 1308.81
    chlorobenzene 2003.32
    dimethyl carbonate 396.61
    n-octane 114.7
    formamide 381.83
    cyclopentanone 3771.35
    2-pentanone 4084.38
    anisole 1554.71
    cyclopentyl methyl ether 3814.63
    gamma-butyrolactone 2943.19
    1-methoxy-2-propanol 2280.26
    pyridine 3813.27
    3-pentanone 2374.12
    furfural 2071.64
    n-dodecane 63.38
    diethylene glycol 830.78
    diisopropyl ether 1580.56
    tert-amyl alcohol 3280.06
    acetylacetone 2842.82
    n-hexadecane 78.23
    acetophenone 1361.51
    methyl propionate 2084.07
    isopentyl acetate 3150.82
    trichloroethylene 5936.15
    n-nonanol 786.18
    cyclohexanol 3250.64
    benzyl alcohol 1117.56
    2-ethylhexanol 1458.63
    isooctanol 790.45
    dipropyl ether 2192.14
    1,2-dichlorobenzene 1676.71
    ethyl lactate 664.07
    propylene carbonate 1863.99
    n-methylformamide 930.59
    2-pentanol 2594.93
    n-pentane 562.92
    1-propoxy-2-propanol 2236.57
    1-methoxy-2-propyl acetate 2277.63
    2-(2-methoxypropoxy) propanol 1285.61
    mesitylene 734.45
    ε-caprolactone 4079.6
    p-cymene 576.9
    epichlorohydrin 4446.99
    1,1,1-trichloroethane 3948.15
    2-aminoethanol 448.99
    morpholine-4-carbaldehyde 2514.23
    sulfolane 2663.19
    2,2,4-trimethylpentane 284.74
    2-methyltetrahydrofuran 6713.28
    n-hexyl acetate 2628.15
    isooctane 205.27
    2-(2-butoxyethoxy)ethanol 1967.07
    sec-butyl acetate 2361.63
    tert-butyl acetate 2898.73
    decalin 473.77
    glycerin 304.1
    diglyme 3562.41
    acrylic acid 596.41
    isopropyl myristate 751.97
    n-butyric acid 3259.88
    acetyl acetate 1795.96
    di(2-ethylhexyl) phthalate 582.22
    ethyl propionate 2325.87
    nitromethane 2229.75
    1,2-diethoxyethane 3781.26
    benzonitrile 1608.38
    trioctyl phosphate 411.7
    1-bromopropane 3336.46
    gamma-valerolactone 4811.13
    n-decanol 499.08
    triethyl phosphate 607.89
    4-methyl-2-pentanol 1306.01
    propionitrile 1844.56
    vinylene carbonate 1391.24
    1,1,2-trichlorotrifluoroethane 1884.84
    DMS 1085.65
    cumene 637.06
    2-octanol 749.88
    2-hexanone 2983.6
    octyl acetate 919.0
    limonene 1189.69
    1,2-dimethoxyethane 3947.73
    ethyl orthosilicate 696.3
    tributyl phosphate 585.58
    diacetone alcohol 2159.75
    N,N-dimethylaniline 951.16
    acrylonitrile 1386.64
    aniline 1707.59
    1,3-propanediol 1142.21
    bromobenzene 2251.92
    dibromomethane 4229.79
    1,1,2,2-tetrachloroethane 5328.98
    2-methyl-cyclohexyl acetate 1437.05
    tetrabutyl urea 708.29
    diisobutyl methanol 795.52
    2-phenylethanol 1185.64
    styrene 1288.61
    dioctyl adipate 1015.67
    dimethyl sulfate 509.48
    ethyl butyrate 2257.61
    methyl lactate 518.57
    butyl lactate 1158.62
    diethyl carbonate 1047.27
    propanediol butyl ether 1118.6
    triethyl orthoformate 1323.02
    p-tert-butyltoluene 532.01
    methyl 4-tert-butylbenzoate 1082.93
    morpholine 6913.85
    tert-butylamine 2560.79
    n-dodecanol 350.09
    dimethoxymethane 1995.0
    ethylene carbonate 1481.37
    cyrene 838.39
    2-ethoxyethyl acetate 2337.44
    2-ethylhexyl acetate 2334.02
    1,2,4-trichlorobenzene 1850.43
    4-methylpyridine 4202.66
    dibutyl ether 2200.57
    2,6-dimethyl-4-heptanol 795.52
    DEF 3369.39
    dimethyl isosorbide 1919.26
    tetrachloroethylene 3198.93
    eugenol 970.84
    triacetin 1582.8
    span 80 1256.45
    1,4-butanediol 399.86
    1,1-dichloroethane 4524.74
    2-methyl-1-pentanol 2148.72
    methyl formate 545.38
    2-methyl-1-butanol 2714.74
    n-decane 148.16
    butyronitrile 2923.28
    3,7-dimethyl-1-octanol 1033.39
    1-chlorooctane 784.56
    1-chlorotetradecane 227.32
    n-nonane 156.66
    undecane 89.73
    tert-butylcyclohexane 386.43
    cyclooctane 351.42
    cyclopentanol 2253.83
    tetrahydropyran 9145.65
    tert-amyl methyl ether 3184.95
    2,5,8-trioxanonane 2004.42
    1-hexene 2756.79
    2-isopropoxyethanol 1687.59
    2,2,2-trifluoroethanol 271.28
    methyl butyrate 3242.32

    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 (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%