Citronellyl dodecanoate

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  • Identifiers

    CAS number
    72934-07-7

    Molecular formula
    C22H42O2

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

  • Odor profile

    Fragrance
    Floral 77.91%
    Waxy 68.21%
    Rose 62.65%
    Oily 53.54%
    Fruity 45.83%
    Fatty 40.89%
    Sweet 40.52%
    Green 37.43%
    Balsamic 30.23%
    Winey 28.9%

     

    Flavor
    Waxy 53.72%
    Oily 46.1%
    Floral 38.23%
    Mild 37.0%
    Fatty 33.72%
    Fruity 32.65%
    Soapy 30.98%
    Rose 26.07%
    Balsam 26.0%
    Sweet 25.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.61 (neutral)

    Molecular weight
    338.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 162.23 ˚C est.

  • Synonyms

    • citronellyl laurate
    • Citronellol laurate
    • 72934-07-7
    • Citronellyl laurate, (+/-)-
    • Dodecanoic acid, 3,7-dimethyl-6-octenyl ester
    • UNII-TO90118L3O
    • Dodecanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • Citronellyl dodecanoate
    • TO90118L3O
    • 3,7-dimethyloct-6-enyl dodecanoate
    • 3,7-Dimethyloct-6-en-1-yl dodecanoate
    • (+/-)-citronellyl laurate
    • DTXSID20611753
    • GARTVHIDFKCTCG-UHFFFAOYSA-N
    • NS00121530
    • Q27290058

  • Applications

    Citronellyl dodecanoate (CAS 72934-07-7) is an ester used primarily as a fragrance ingredient in perfumery and cosmetics, contributing citrus–floral notes and potentially functioning as a mild fixative in fragrance formulations. It is commonly employed in cosmetics/personal care products (creams, lotions, cleansers) and in household products (air fresheners, fabric refreshers, cleaners) to impart aroma. The compound is also used as a fragrance additive in coatings/inks and may be incorporated into polymer formulations (polymers/plastics) to introduce or preserve fragrance. Overall, it is typically handled as a fragrance material, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 763.88
    methanol 483.23
    isopropanol 849.61
    water 0.03
    ethyl acetate 2327.64
    n-propanol 833.46
    acetone 1424.55
    n-butanol 1029.61
    acetonitrile 451.84
    DMF 840.91
    toluene 830.48
    isobutanol 754.31
    1,4-dioxane 1976.22
    methyl acetate 1026.22
    THF 3543.9
    2-butanone 1694.95
    n-pentanol 727.23
    sec-butanol 1038.75
    n-hexane 313.65
    ethylene glycol 11.35
    NMP 1419.94
    cyclohexane 1081.34
    DMSO 966.98
    n-butyl acetate 1875.35
    n-octanol 475.89
    chloroform 2990.01
    n-propyl acetate 2028.3
    acetic acid 437.41
    dichloromethane 3082.45
    cyclohexanone 3465.09
    propylene glycol 59.97
    isopropyl acetate 1849.49
    DMAc 1491.62
    2-ethoxyethanol 840.0
    isopentanol 1157.73
    n-heptane 211.3
    ethyl formate 633.23
    1,2-dichloroethane 2156.37
    n-hexanol 646.04
    2-methoxyethanol 802.01
    isobutyl acetate 1230.59
    tetrachloromethane 653.64
    n-pentyl acetate 1901.8
    transcutol 4205.84
    n-heptanol 457.27
    ethylbenzene 556.07
    MIBK 1460.19
    2-propoxyethanol 943.45
    tert-butanol 1211.89
    MTBE 2300.68
    2-butoxyethanol 865.47
    propionic acid 450.18
    o-xylene 637.63
    formic acid 48.72
    diethyl ether 2146.63
    m-xylene 568.62
    p-xylene 790.45
    chlorobenzene 1093.75
    dimethyl carbonate 205.41
    n-octane 85.27
    formamide 108.67
    cyclopentanone 2402.99
    2-pentanone 1908.58
    anisole 922.14
    cyclopentyl methyl ether 2227.33
    gamma-butyrolactone 1828.07
    1-methoxy-2-propanol 902.49
    pyridine 1602.63
    3-pentanone 1251.25
    furfural 1225.68
    n-dodecane 42.75
    diethylene glycol 245.54
    diisopropyl ether 783.99
    tert-amyl alcohol 1300.31
    acetylacetone 1633.07
    n-hexadecane 53.61
    acetophenone 940.04
    methyl propionate 1054.41
    isopentyl acetate 1935.65
    trichloroethylene 3123.11
    n-nonanol 466.85
    cyclohexanol 1431.53
    benzyl alcohol 534.63
    2-ethylhexanol 648.11
    isooctanol 502.85
    dipropyl ether 1261.23
    1,2-dichlorobenzene 1053.83
    ethyl lactate 410.19
    propylene carbonate 1189.74
    n-methylformamide 316.15
    2-pentanol 917.21
    n-pentane 218.82
    1-propoxy-2-propanol 1066.26
    1-methoxy-2-propyl acetate 1435.23
    2-(2-methoxypropoxy) propanol 742.91
    mesitylene 434.89
    ε-caprolactone 2784.89
    p-cymene 385.93
    epichlorohydrin 2583.31
    1,1,1-trichloroethane 2457.19
    2-aminoethanol 87.42
    morpholine-4-carbaldehyde 1467.01
    sulfolane 1931.19
    2,2,4-trimethylpentane 164.6
    2-methyltetrahydrofuran 3450.17
    n-hexyl acetate 1964.64
    isooctane 103.62
    2-(2-butoxyethoxy)ethanol 1117.11
    sec-butyl acetate 1632.35
    tert-butyl acetate 2082.42
    decalin 301.77
    glycerin 75.14
    diglyme 2456.08
    acrylic acid 205.84
    isopropyl myristate 551.56
    n-butyric acid 1545.72
    acetyl acetate 952.95
    di(2-ethylhexyl) phthalate 380.46
    ethyl propionate 1533.65
    nitromethane 899.37
    1,2-diethoxyethane 2232.14
    benzonitrile 745.45
    trioctyl phosphate 289.82
    1-bromopropane 1735.55
    gamma-valerolactone 3205.09
    n-decanol 280.56
    triethyl phosphate 498.54
    4-methyl-2-pentanol 592.67
    propionitrile 633.74
    vinylene carbonate 833.35
    1,1,2-trichlorotrifluoroethane 1043.24
    DMS 702.71
    cumene 386.76
    2-octanol 466.13
    2-hexanone 1650.71
    octyl acetate 674.48
    limonene 812.0
    1,2-dimethoxyethane 2117.11
    ethyl orthosilicate 569.07
    tributyl phosphate 375.72
    diacetone alcohol 1371.33
    N,N-dimethylaniline 620.91
    acrylonitrile 447.63
    aniline 680.11
    1,3-propanediol 302.03
    bromobenzene 1258.44
    dibromomethane 2210.28
    1,1,2,2-tetrachloroethane 3000.29
    2-methyl-cyclohexyl acetate 1117.4
    tetrabutyl urea 557.98
    diisobutyl methanol 458.14
    2-phenylethanol 555.23
    styrene 644.32
    dioctyl adipate 776.98
    dimethyl sulfate 334.64
    ethyl butyrate 1659.14
    methyl lactate 254.75
    butyl lactate 899.68
    diethyl carbonate 716.02
    propanediol butyl ether 597.69
    triethyl orthoformate 1112.8
    p-tert-butyltoluene 356.95
    methyl 4-tert-butylbenzoate 906.47
    morpholine 2771.04
    tert-butylamine 884.97
    n-dodecanol 191.62
    dimethoxymethane 855.77
    ethylene carbonate 946.22
    cyrene 570.38
    2-ethoxyethyl acetate 1795.8
    2-ethylhexyl acetate 1576.23
    1,2,4-trichlorobenzene 1171.88
    4-methylpyridine 1919.29
    dibutyl ether 1526.23
    2,6-dimethyl-4-heptanol 458.14
    DEF 1849.16
    dimethyl isosorbide 1376.21
    tetrachloroethylene 1855.34
    eugenol 655.79
    triacetin 1288.71
    span 80 767.49
    1,4-butanediol 108.47
    1,1-dichloroethane 2274.33
    2-methyl-1-pentanol 853.0
    methyl formate 197.33
    2-methyl-1-butanol 992.17
    n-decane 109.86
    butyronitrile 1053.66
    3,7-dimethyl-1-octanol 577.73
    1-chlorooctane 568.11
    1-chlorotetradecane 151.08
    n-nonane 111.94
    undecane 62.18
    tert-butylcyclohexane 220.31
    cyclooctane 235.19
    cyclopentanol 1011.34
    tetrahydropyran 4260.53
    tert-amyl methyl ether 1600.73
    2,5,8-trioxanonane 1288.26
    1-hexene 876.07
    2-isopropoxyethanol 824.04
    2,2,2-trifluoroethanol 116.64
    methyl butyrate 2052.4

    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