3,7-Dimethyloct-6-en-1-yl nonanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    72934-18-0

    Molecular formula
    C19H36O2

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

  • Odor profile

    Fragrance
    Floral 86.03%
    Rose 77.25%
    Waxy 64.46%
    Fruity 57.96%
    Oily 48.1%
    Green 44.14%
    Sweet 43.78%
    Geranium 37.03%
    Winey 36.81%
    Citrus 35.27%

     

    Flavor
    Waxy 54.63%
    Floral 51.08%
    Oily 46.38%
    Fruity 45.27%
    Rose 38.97%
    Sweet 33.57%
    Soapy 32.55%
    Mild 31.92%
    Fatty 28.76%
    Herbal 28.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.69 (neutral)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point

    • 145.19 ˚C est.

  • Synonyms

    • Citronellyl nonanoate
    • Citronellol pelargonate
    • SCHEMBL19242397
    • ULWMBBYWQZNAMT-UHFFFAOYSA-N
    • 3,7-Dimethyloct-6-en-1-yl nonanoate
    • Nonanoic acid, 3,7-dimethyl-6-octenyl ester
    • Nonanoic acid, 3,7-dimethyl-6-octen-1-yl ester

  • Applications

    3,7-Dimethyloct-6-en-1-yl nonanoate (CAS 72934-18-0) is an unsaturated terpenoid alcohol ester of nonanoic acid used primarily as a fragrance ingredient to impart fresh fruity–citrus/green nuances and improve substantivity, serving as a modifier and long-lasting note in fine fragrances, deodorants, personal care, soaps, detergents, and home care; it may also be used at trace levels in flavor applications where permitted to round fruity, tropical, and creamy facets; additionally it can function as a fragrance carrier/emollient in oil phases and as an intermediate for related aroma esters; its hydrophobicity and moderate volatility make it suitable for encapsulation and stability/release studies in surfactant-rich matrices; implementation should consider IFRA compliance, dermal safety assessment, REACH/GHS regulations, and storage in sealed containers away from heat/light to minimize oxidation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3061.59
    methanol 1881.01
    isopropanol 2766.32
    water 0.05
    ethyl acetate 4755.97
    n-propanol 2626.03
    acetone 3683.37
    n-butanol 2765.17
    acetonitrile 1427.81
    DMF 1694.82
    toluene 1500.05
    isobutanol 2049.32
    1,4-dioxane 4179.98
    methyl acetate 2122.71
    THF 6317.85
    2-butanone 3584.4
    n-pentanol 1860.39
    sec-butanol 2798.47
    n-hexane 706.42
    ethylene glycol 43.52
    NMP 1871.03
    cyclohexane 1648.34
    DMSO 1901.63
    n-butyl acetate 3165.82
    n-octanol 838.63
    chloroform 5068.27
    n-propyl acetate 3241.77
    acetic acid 1083.02
    dichloromethane 4920.27
    cyclohexanone 5477.17
    propylene glycol 199.13
    isopropyl acetate 3272.97
    DMAc 2108.37
    2-ethoxyethanol 1871.27
    isopentanol 2621.7
    n-heptane 345.53
    ethyl formate 1263.56
    1,2-dichloroethane 3532.97
    n-hexanol 1623.2
    2-methoxyethanol 2164.91
    isobutyl acetate 1829.61
    tetrachloromethane 899.64
    n-pentyl acetate 2465.56
    transcutol 7186.42
    n-heptanol 831.73
    ethylbenzene 879.98
    MIBK 2331.23
    2-propoxyethanol 2076.13
    tert-butanol 3198.9
    MTBE 4904.6
    2-butoxyethanol 1403.62
    propionic acid 1001.76
    o-xylene 944.12
    formic acid 127.58
    diethyl ether 5413.3
    m-xylene 977.46
    p-xylene 1202.97
    chlorobenzene 1732.46
    dimethyl carbonate 348.41
    n-octane 122.38
    formamide 268.83
    cyclopentanone 3548.9
    2-pentanone 3766.72
    anisole 1422.24
    cyclopentyl methyl ether 3587.77
    gamma-butyrolactone 2746.49
    1-methoxy-2-propanol 1976.36
    pyridine 3195.82
    3-pentanone 2159.22
    furfural 1848.23
    n-dodecane 64.43
    diethylene glycol 613.18
    diisopropyl ether 1508.48
    tert-amyl alcohol 2876.45
    acetylacetone 2690.09
    n-hexadecane 80.09
    acetophenone 1290.37
    methyl propionate 1893.85
    isopentyl acetate 3073.22
    trichloroethylene 4833.06
    n-nonanol 763.13
    cyclohexanol 2874.9
    benzyl alcohol 952.41
    2-ethylhexanol 1253.56
    isooctanol 797.77
    dipropyl ether 2222.87
    1,2-dichlorobenzene 1514.78
    ethyl lactate 648.27
    propylene carbonate 1767.69
    n-methylformamide 750.06
    2-pentanol 2279.43
    n-pentane 481.41
    1-propoxy-2-propanol 2015.92
    1-methoxy-2-propyl acetate 2183.76
    2-(2-methoxypropoxy) propanol 1167.98
    mesitylene 675.67
    ε-caprolactone 4038.98
    p-cymene 560.54
    epichlorohydrin 4091.47
    1,1,1-trichloroethane 3656.39
    2-aminoethanol 295.4
    morpholine-4-carbaldehyde 2312.7
    sulfolane 2504.12
    2,2,4-trimethylpentane 263.24
    2-methyltetrahydrofuran 6243.24
    n-hexyl acetate 2747.42
    isooctane 186.23
    2-(2-butoxyethoxy)ethanol 1812.2
    sec-butyl acetate 2461.1
    tert-butyl acetate 3090.76
    decalin 445.7
    glycerin 207.4
    diglyme 3526.7
    acrylic acid 449.58
    isopropyl myristate 762.77
    n-butyric acid 3061.79
    acetyl acetate 1695.45
    di(2-ethylhexyl) phthalate 554.56
    ethyl propionate 2369.27
    nitromethane 1862.98
    1,2-diethoxyethane 3685.28
    benzonitrile 1352.85
    trioctyl phosphate 407.17
    1-bromopropane 3017.8
    gamma-valerolactone 4747.22
    n-decanol 469.63
    triethyl phosphate 629.28
    4-methyl-2-pentanol 1217.33
    propionitrile 1510.29
    vinylene carbonate 1269.09
    1,1,2-trichlorotrifluoroethane 1593.03
    DMS 1016.6
    cumene 590.43
    2-octanol 751.06
    2-hexanone 2831.34
    octyl acetate 923.5
    limonene 1170.44
    1,2-dimethoxyethane 3778.2
    ethyl orthosilicate 727.1
    tributyl phosphate 562.73
    diacetone alcohol 2129.4
    N,N-dimethylaniline 882.21
    acrylonitrile 1069.73
    aniline 1365.63
    1,3-propanediol 851.75
    bromobenzene 1951.87
    dibromomethane 3678.3
    1,1,2,2-tetrachloroethane 4577.43
    2-methyl-cyclohexyl acetate 1455.93
    tetrabutyl urea 729.11
    diisobutyl methanol 773.53
    2-phenylethanol 991.34
    styrene 1099.8
    dioctyl adipate 1034.9
    dimethyl sulfate 452.84
    ethyl butyrate 2394.37
    methyl lactate 448.98
    butyl lactate 1221.9
    diethyl carbonate 1062.33
    propanediol butyl ether 1015.79
    triethyl orthoformate 1460.59
    p-tert-butyltoluene 512.5
    methyl 4-tert-butylbenzoate 1105.41
    morpholine 6097.39
    tert-butylamine 2223.04
    n-dodecanol 325.03
    dimethoxymethane 1763.86
    ethylene carbonate 1445.6
    cyrene 787.45
    2-ethoxyethyl acetate 2459.8
    2-ethylhexyl acetate 2339.2
    1,2,4-trichlorobenzene 1656.29
    4-methylpyridine 3490.35
    dibutyl ether 2281.8
    2,6-dimethyl-4-heptanol 773.53
    DEF 3120.53
    dimethyl isosorbide 1838.67
    tetrachloroethylene 2834.16
    eugenol 917.36
    triacetin 1656.81
    span 80 1173.86
    1,4-butanediol 293.66
    1,1-dichloroethane 4035.36
    2-methyl-1-pentanol 1821.34
    methyl formate 421.61
    2-methyl-1-butanol 2310.55
    n-decane 156.96
    butyronitrile 2473.66
    3,7-dimethyl-1-octanol 987.61
    1-chlorooctane 792.46
    1-chlorotetradecane 226.88
    n-nonane 165.02
    undecane 92.24
    tert-butylcyclohexane 346.09
    cyclooctane 349.45
    cyclopentanol 1991.31
    tetrahydropyran 8582.68
    tert-amyl methyl ether 2966.68
    2,5,8-trioxanonane 1892.25
    1-hexene 2200.9
    2-isopropoxyethanol 1545.81
    2,2,2-trifluoroethanol 217.98
    methyl butyrate 3298.63

    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 0.04%