Farnesyl hexanoate

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  • Identifiers

    CAS number
    51532-28-6

    Molecular formula
    C21H36O2

    SMILES
    CCCCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 82.0%
    Rose 76.45%
    Fruity 62.1%
    Waxy 59.7%
    Green 55.58%
    Sweet 47.67%
    Geranium 44.03%
    Oily 40.9%
    Citrus 38.35%
    Tropical 37.57%

     

    Flavor
    Floral 55.77%
    Rose 49.85%
    Waxy 47.78%
    Fruity 43.91%
    Green 38.39%
    Sweet 35.35%
    Geranium 35.32%
    Oily 33.59%
    Bitter 28.04%
    Fresh 26.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.77 (neutral)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 161.73 ˚C est.

  • Synonyms

    • farnesyl hexanoate
    • 51532-28-6
    • DTXSID00336134
    • RefChem:345401
    • DTXCID50287223
    • SCHEMBL3502556
    • 3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL HEXANOATE
    • 51532-28-6

  • Applications

    Farnesyl hexanoate (CAS 51532-28-6) is an ester derived from farnesol and hexanoic acid and is primarily used as a fragrance ingredient. In perfumery, it functions as an aroma compound and can act as a fixative to extend scent longevity. It is commonly evaluated for use in cosmetics and personal care formulations (e.g., creams, lotions, and cleansers) as a fragrance ingredient, and in household products (air fresheners and cleaners) to contribute odor profiles. Additionally, it may be used as an intermediate in fragrance synthesis or formulation. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.73
    methanol 159.88
    isopropanol 185.67
    water 0.02
    ethyl acetate 559.49
    n-propanol 217.9
    acetone 245.17
    n-butanol 286.69
    acetonitrile 91.62
    DMF 153.02
    toluene 296.86
    isobutanol 164.71
    1,4-dioxane 659.43
    methyl acetate 242.09
    THF 1052.54
    2-butanone 398.98
    n-pentanol 257.44
    sec-butanol 272.03
    n-hexane 101.61
    ethylene glycol 3.53
    NMP 300.57
    cyclohexane 198.75
    DMSO 198.18
    n-butyl acetate 458.66
    n-octanol 135.29
    chloroform 987.1
    n-propyl acetate 437.68
    acetic acid 118.69
    dichloromethane 943.97
    cyclohexanone 701.58
    propylene glycol 18.38
    isopropyl acetate 421.61
    DMAc 430.74
    2-ethoxyethanol 291.16
    isopentanol 300.21
    n-heptane 57.04
    ethyl formate 136.84
    1,2-dichloroethane 582.8
    n-hexanol 248.56
    2-methoxyethanol 253.71
    isobutyl acetate 307.17
    tetrachloromethane 138.39
    n-pentyl acetate 393.84
    transcutol 1658.11
    n-heptanol 144.27
    ethylbenzene 217.76
    MIBK 333.87
    2-propoxyethanol 356.62
    tert-butanol 286.76
    MTBE 592.33
    2-butoxyethanol 288.0
    propionic acid 100.03
    o-xylene 196.35
    formic acid 17.71
    diethyl ether 697.8
    m-xylene 201.03
    p-xylene 266.0
    chlorobenzene 315.52
    dimethyl carbonate 51.23
    n-octane 21.92
    formamide 32.35
    cyclopentanone 436.07
    2-pentanone 423.1
    anisole 355.86
    cyclopentyl methyl ether 574.66
    gamma-butyrolactone 368.81
    1-methoxy-2-propanol 259.26
    pyridine 464.53
    3-pentanone 325.71
    furfural 295.85
    n-dodecane 13.5
    diethylene glycol 94.95
    diisopropyl ether 218.55
    tert-amyl alcohol 334.71
    acetylacetone 371.88
    n-hexadecane 16.2
    acetophenone 316.81
    methyl propionate 253.94
    isopentyl acetate 487.71
    trichloroethylene 871.5
    n-nonanol 146.75
    cyclohexanol 293.82
    benzyl alcohol 195.12
    2-ethylhexanol 224.53
    isooctanol 145.74
    dipropyl ether 371.68
    1,2-dichlorobenzene 307.07
    ethyl lactate 107.5
    propylene carbonate 256.58
    n-methylformamide 60.07
    2-pentanol 238.36
    n-pentane 57.21
    1-propoxy-2-propanol 339.2
    1-methoxy-2-propyl acetate 441.86
    2-(2-methoxypropoxy) propanol 341.09
    mesitylene 137.94
    ε-caprolactone 633.98
    p-cymene 128.69
    epichlorohydrin 696.3
    1,1,1-trichloroethane 555.23
    2-aminoethanol 27.84
    morpholine-4-carbaldehyde 406.38
    sulfolane 389.37
    2,2,4-trimethylpentane 46.96
    2-methyltetrahydrofuran 977.47
    n-hexyl acetate 474.18
    isooctane 30.27
    2-(2-butoxyethoxy)ethanol 451.89
    sec-butyl acetate 421.16
    tert-butyl acetate 491.82
    decalin 95.64
    glycerin 25.7
    diglyme 898.39
    acrylic acid 51.27
    isopropyl myristate 174.15
    n-butyric acid 326.95
    acetyl acetate 250.05
    di(2-ethylhexyl) phthalate 142.98
    ethyl propionate 377.79
    nitromethane 179.18
    1,2-diethoxyethane 777.92
    benzonitrile 193.96
    trioctyl phosphate 89.58
    1-bromopropane 489.35
    gamma-valerolactone 669.19
    n-decanol 98.08
    triethyl phosphate 172.93
    4-methyl-2-pentanol 159.32
    propionitrile 146.39
    vinylene carbonate 186.4
    1,1,2-trichlorotrifluoroethane 268.99
    DMS 193.81
    cumene 149.16
    2-octanol 114.86
    2-hexanone 432.04
    octyl acetate 201.8
    limonene 236.72
    1,2-dimethoxyethane 692.78
    ethyl orthosilicate 204.28
    tributyl phosphate 119.76
    diacetone alcohol 335.49
    N,N-dimethylaniline 259.87
    acrylonitrile 98.78
    aniline 208.67
    1,3-propanediol 86.71
    bromobenzene 358.25
    dibromomethane 654.48
    1,1,2,2-tetrachloroethane 830.42
    2-methyl-cyclohexyl acetate 386.76
    tetrabutyl urea 172.25
    diisobutyl methanol 134.63
    2-phenylethanol 227.12
    styrene 242.74
    dioctyl adipate 265.71
    dimethyl sulfate 74.02
    ethyl butyrate 426.06
    methyl lactate 62.44
    butyl lactate 202.92
    diethyl carbonate 214.39
    propanediol butyl ether 167.96
    triethyl orthoformate 337.42
    p-tert-butyltoluene 120.62
    methyl 4-tert-butylbenzoate 294.28
    morpholine 851.7
    tert-butylamine 214.2
    n-dodecanol 70.09
    dimethoxymethane 253.36
    ethylene carbonate 184.9
    cyrene 229.78
    2-ethoxyethyl acetate 469.91
    2-ethylhexyl acetate 428.65
    1,2,4-trichlorobenzene 353.51
    4-methylpyridine 533.66
    dibutyl ether 387.18
    2,6-dimethyl-4-heptanol 134.63
    DEF 435.93
    dimethyl isosorbide 615.1
    tetrachloroethylene 466.28
    eugenol 248.22
    triacetin 362.94
    span 80 291.36
    1,4-butanediol 32.45
    1,1-dichloroethane 521.5
    2-methyl-1-pentanol 319.04
    methyl formate 36.49
    2-methyl-1-butanol 269.64
    n-decane 29.9
    butyronitrile 240.37
    3,7-dimethyl-1-octanol 174.24
    1-chlorooctane 147.86
    1-chlorotetradecane 49.55
    n-nonane 27.82
    undecane 18.75
    tert-butylcyclohexane 77.42
    cyclooctane 53.17
    cyclopentanol 176.65
    tetrahydropyran 1112.49
    tert-amyl methyl ether 486.31
    2,5,8-trioxanonane 562.45
    1-hexene 309.61
    2-isopropoxyethanol 263.12
    2,2,2-trifluoroethanol 25.52
    methyl butyrate 477.68

    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