Citronellyl octanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    O72934-05-5

    Molecular formula
    C18H34O2

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

    Retention indicies (RI)

    • Carbowax: 1880.0

  • Odor profile

    Floral 86.49%
    Rose 79.49%
    Fruity 65.14%
    Waxy 62.78%
    Green 47.4%
    Oily 46.12%
    Sweet 44.81%
    Geranium 41.42%
    Winey 40.07%
    Herbal 38.32%

    Scent© AI

  • Properties

    XLogP3-AA
    6.8

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point est.
    139.92 ˚C

  • Synonyms

    • Citronellyl octanoate
    • 72934-05-5
    • citronellyl caprylate
    • 3,7-dimethyloct-6-enyl octanoate
    • Octanoic acid, 3,7-dimethyl-6-octenyl ester
    • Citronellol caprylate
    • 3,7-Dimethyloct-6-en-1-yl octanoate
    • DTXSID80335786
    • Octanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • SCHEMBL2171493
    • DTXCID30286875

  • Applications

    Citronellyl octanoate is a versatile fragrance ester used across fine fragrance, personal care, and home care, delivering a citrus–rose, slightly fruity and creamy-waxy facet; it is employed to round and extend accords, enhance longevity and substantivity on skin, hair, and fabrics, and to modify/fix citrus, floral, rose, muguet, and green profiles; suitable for soaps, shampoos, body washes, lotions, detergents, fabric softeners, candles, air fresheners, and reed diffusers, typically dosed at low-to-moderate levels in line with IFRA guidance and local regulations for safety and formulation stability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4279.16
    methanol 2718.1
    isopropanol 3610.42
    water 0.06
    ethyl acetate 5788.52
    n-propanol 3434.95
    acetone 4769.81
    n-butanol 3522.21
    acetonitrile 2031.95
    DMF 2141.12
    toluene 1799.11
    isobutanol 2627.48
    1,4-dioxane 5083.76
    methyl acetate 2595.95
    THF 7361.33
    2-butanone 4359.69
    n-pentanol 2331.84
    sec-butanol 3525.76
    n-hexane 891.56
    ethylene glycol 66.04
    NMP 2097.43
    cyclohexane 1835.45
    DMSO 2360.63
    n-butyl acetate 3714.56
    n-octanol 989.39
    chloroform 5904.38
    n-propyl acetate 3634.53
    acetic acid 1428.52
    dichloromethane 5691.67
    cyclohexanone 6253.25
    propylene glycol 282.19
    isopropyl acetate 3832.12
    DMAc 2326.79
    2-ethoxyethanol 2277.37
    isopentanol 3171.32
    n-heptane 399.87
    ethyl formate 1555.16
    1,2-dichloroethane 4081.54
    n-hexanol 2087.12
    2-methoxyethanol 2780.32
    isobutyl acetate 2022.81
    tetrachloromethane 1001.48
    n-pentyl acetate 2643.22
    transcutol 8260.19
    n-heptanol 978.09
    ethylbenzene 1013.78
    MIBK 2665.66
    2-propoxyethanol 2531.01
    tert-butanol 4058.51
    MTBE 6007.99
    2-butoxyethanol 1598.49
    propionic acid 1257.04
    o-xylene 1065.11
    formic acid 177.42
    diethyl ether 6680.87
    m-xylene 1158.01
    p-xylene 1360.97
    chlorobenzene 1992.05
    dimethyl carbonate 419.01
    n-octane 139.06
    formamide 365.2
    cyclopentanone 4032.68
    2-pentanone 4497.5
    anisole 1611.16
    cyclopentyl methyl ether 4134.37
    gamma-butyrolactone 3127.97
    1-methoxy-2-propanol 2461.09
    pyridine 3901.43
    3-pentanone 2532.4
    furfural 2110.94
    n-dodecane 75.11
    diethylene glycol 796.31
    diisopropyl ether 1809.36
    tert-amyl alcohol 3559.93
    acetylacetone 3145.44
    n-hexadecane 92.75
    acetophenone 1433.37
    methyl propionate 2286.19
    isopentyl acetate 3509.29
    trichloroethylene 5713.07
    n-nonanol 879.28
    cyclohexanol 3465.33
    benzyl alcohol 1117.2
    2-ethylhexanol 1522.41
    isooctanol 894.5
    dipropyl ether 2553.45
    1,2-dichlorobenzene 1694.93
    ethyl lactate 722.6
    propylene carbonate 2003.99
    n-methylformamide 960.14
    2-pentanol 2823.3
    n-pentane 595.61
    1-propoxy-2-propanol 2397.17
    1-methoxy-2-propyl acetate 2501.55
    2-(2-methoxypropoxy) propanol 1328.88
    mesitylene 774.13
    ε-caprolactone 4526.34
    p-cymene 623.4
    epichlorohydrin 4715.22
    1,1,1-trichloroethane 4178.44
    2-aminoethanol 418.14
    morpholine-4-carbaldehyde 2626.58
    sulfolane 2754.64
    2,2,4-trimethylpentane 305.63
    2-methyltetrahydrofuran 7341.54
    n-hexyl acetate 3054.6
    isooctane 224.8
    2-(2-butoxyethoxy)ethanol 2088.67
    sec-butyl acetate 2746.9
    tert-butyl acetate 3477.14
    decalin 507.59
    glycerin 279.34
    diglyme 3902.22
    acrylic acid 577.3
    isopropyl myristate 851.93
    n-butyric acid 3674.28
    acetyl acetate 2032.58
    di(2-ethylhexyl) phthalate 616.81
    ethyl propionate 2679.7
    nitromethane 2333.64
    1,2-diethoxyethane 4281.5
    benzonitrile 1618.12
    trioctyl phosphate 451.93
    1-bromopropane 3521.48
    gamma-valerolactone 5309.34
    n-decanol 550.37
    triethyl phosphate 674.53
    4-methyl-2-pentanol 1444.38
    propionitrile 1941.46
    vinylene carbonate 1467.61
    1,1,2-trichlorotrifluoroethane 1845.89
    DMS 1164.31
    cumene 662.73
    2-octanol 857.7
    2-hexanone 3261.44
    octyl acetate 1031.64
    limonene 1306.8
    1,2-dimethoxyethane 4338.75
    ethyl orthosilicate 775.93
    tributyl phosphate 634.73
    diacetone alcohol 2412.5
    N,N-dimethylaniline 974.66
    acrylonitrile 1391.18
    aniline 1681.15
    1,3-propanediol 1150.22
    bromobenzene 2226.72
    dibromomethane 4293.31
    1,1,2,2-tetrachloroethane 5253.88
    2-methyl-cyclohexyl acetate 1568.84
    tetrabutyl urea 789.84
    diisobutyl methanol 888.54
    2-phenylethanol 1184.26
    styrene 1291.67
    dioctyl adipate 1136.21
    dimethyl sulfate 513.59
    ethyl butyrate 2653.29
    methyl lactate 535.2
    butyl lactate 1325.97
    diethyl carbonate 1180.72
    propanediol butyl ether 1178.94
    triethyl orthoformate 1549.49
    p-tert-butyltoluene 574.07
    methyl 4-tert-butylbenzoate 1184.0
    morpholine 7529.74
    tert-butylamine 2824.76
    n-dodecanol 385.37
    dimethoxymethane 2169.78
    ethylene carbonate 1646.95
    cyrene 865.71
    2-ethoxyethyl acetate 2719.91
    2-ethylhexyl acetate 2597.59
    1,2,4-trichlorobenzene 1841.36
    4-methylpyridine 4227.67
    dibutyl ether 2576.02
    2,6-dimethyl-4-heptanol 888.54
    DEF 3631.28
    dimethyl isosorbide 2026.5
    tetrachloroethylene 3206.62
    eugenol 1019.39
    triacetin 1777.66
    span 80 1332.42
    1,4-butanediol 389.02
    1,1-dichloroethane 4690.06
    2-methyl-1-pentanol 2215.22
    methyl formate 547.34
    2-methyl-1-butanol 2852.95
    n-decane 178.87
    butyronitrile 3121.67
    3,7-dimethyl-1-octanol 1145.16
    1-chlorooctane 887.13
    1-chlorotetradecane 259.26
    n-nonane 190.89
    undecane 106.68
    tert-butylcyclohexane 405.88
    cyclooctane 392.97
    cyclopentanol 2411.0
    tetrahydropyran 10233.49
    tert-amyl methyl ether 3487.98
    2,5,8-trioxanonane 2121.58
    1-hexene 2806.88
    2-isopropoxyethanol 1814.85
    2,2,2-trifluoroethanol 269.28
    methyl butyrate 3731.86

    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 0.03%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.2%