Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester

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  • Identifiers

    CAS number
    157501-12-7

    Molecular formula
    C31H56O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 71.29%
    Waxy 65.19%
    Green 49.72%
    Oily 49.71%
    Rose 49.54%
    Balsamic 43.45%
    Sweet 40.07%
    Fruity 36.57%
    Fatty 33.89%
    Woody 32.68%

     

    Flavor
    Waxy 45.4%
    Floral 35.91%
    Mild 33.41%
    Oily 32.94%
    Balsam 31.71%
    Fruity 26.82%
    Fatty 25.38%
    Wax 24.12%
    Flower 23.54%
    Faint 23.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.7

    pKa est.
    8.46 (weak base)

    Molecular weight
    460.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 210.69 ˚C est.

  • Synonyms

    • farnesyl palmitate
    • 157501-12-7
    • Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester
    • SCHEMBL13701576
    • JXOGISMTOCGSHX-GDHXXOHCSA-N
    • [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] Hexadecanoate
    • 3,7,11-trimethyldodeca-2,6,10-trien-1-yl palmitate
    • Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrienyl ester
    • 157501-12-7

  • Applications

    Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester (CAS 157501-12-7) is a long-chain fatty acid ester that is typically encountered as a wax-like compound used as an emollient and conditioning ingredient in cosmetics and personal care formulations. It can serve as a fragrance component or fixative in perfumery, helping to modulate evaporation and extend fragrance lifetimes. In coatings and inks it may function as a waxy additive to improve gloss, texture and water resistance. In polymers and plastics it can act as a plasticizer or processing aid to enhance flexibility and compatibility with wax-based systems. In industrial manufacturing it is often evaluated as an intermediate for synthesis of specialty esters and as a component in bio-based lubricants or lubricant formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.6
    methanol 6.48
    isopropanol 6.54
    water 0.01
    ethyl acetate 83.21
    n-propanol 12.79
    acetone 33.66
    n-butanol 17.69
    acetonitrile 8.49
    DMF 34.64
    toluene 54.84
    isobutanol 12.14
    1,4-dioxane 86.38
    methyl acetate 38.72
    THF 244.34
    2-butanone 70.45
    n-pentanol 22.68
    sec-butanol 19.41
    n-hexane 22.76
    ethylene glycol 0.25
    NMP 179.35
    cyclohexane 55.68
    DMSO 39.88
    n-butyl acetate 99.92
    n-octanol 28.66
    chloroform 287.75
    n-propyl acetate 105.99
    acetic acid 16.57
    dichloromethane 285.68
    cyclohexanone 232.27
    propylene glycol 1.26
    isopropyl acetate 84.45
    DMAc 154.94
    2-ethoxyethanol 35.31
    isopentanol 25.37
    n-heptane 18.5
    ethyl formate 24.13
    1,2-dichloroethane 160.94
    n-hexanol 20.4
    2-methoxyethanol 21.36
    isobutyl acetate 78.95
    tetrachloromethane 60.62
    n-pentyl acetate 173.89
    transcutol 317.05
    n-heptanol 28.18
    ethylbenzene 54.81
    MIBK 77.52
    2-propoxyethanol 42.16
    tert-butanol 17.78
    MTBE 74.16
    2-butoxyethanol 70.15
    propionic acid 16.67
    o-xylene 50.81
    formic acid 2.59
    diethyl ether 64.21
    m-xylene 43.16
    p-xylene 67.78
    chlorobenzene 84.99
    dimethyl carbonate 15.72
    n-octane 8.83
    formamide 5.05
    cyclopentanone 170.06
    2-pentanone 80.85
    anisole 92.35
    cyclopentyl methyl ether 157.35
    gamma-butyrolactone 136.74
    1-methoxy-2-propanol 29.0
    pyridine 98.56
    3-pentanone 81.96
    furfural 93.73
    n-dodecane 4.1
    diethylene glycol 8.26
    diisopropyl ether 36.48
    tert-amyl alcohol 40.47
    acetylacetone 92.3
    n-hexadecane 5.05
    acetophenone 107.15
    methyl propionate 52.71
    isopentyl acetate 114.52
    trichloroethylene 286.14
    n-nonanol 35.69
    cyclohexanol 44.95
    benzyl alcohol 34.11
    2-ethylhexanol 35.23
    isooctanol 36.52
    dipropyl ether 91.91
    1,2-dichlorobenzene 111.9
    ethyl lactate 26.13
    propylene carbonate 86.29
    n-methylformamide 10.45
    2-pentanol 18.37
    n-pentane 10.61
    1-propoxy-2-propanol 57.19
    1-methoxy-2-propyl acetate 100.72
    2-(2-methoxypropoxy) propanol 89.98
    mesitylene 33.95
    ε-caprolactone 227.78
    p-cymene 38.79
    epichlorohydrin 202.89
    1,1,1-trichloroethane 198.21
    2-aminoethanol 1.9
    morpholine-4-carbaldehyde 106.48
    sulfolane 210.2
    2,2,4-trimethylpentane 15.8
    2-methyltetrahydrofuran 214.97
    n-hexyl acetate 155.33
    isooctane 7.15
    2-(2-butoxyethoxy)ethanol 106.46
    sec-butyl acetate 110.43
    tert-butyl acetate 139.24
    decalin 32.64
    glycerin 2.39
    diglyme 274.94
    acrylic acid 10.17
    isopropyl myristate 53.91
    n-butyric acid 52.39
    acetyl acetate 52.0
    di(2-ethylhexyl) phthalate 41.22
    ethyl propionate 102.82
    nitromethane 34.49
    1,2-diethoxyethane 171.01
    benzonitrile 38.55
    trioctyl phosphate 26.32
    1-bromopropane 119.6
    gamma-valerolactone 222.75
    n-decanol 21.4
    triethyl phosphate 69.35
    4-methyl-2-pentanol 19.07
    propionitrile 16.38
    vinylene carbonate 61.42
    1,1,2-trichlorotrifluoroethane 88.35
    DMS 53.57
    cumene 41.27
    2-octanol 27.76
    2-hexanone 109.46
    octyl acetate 61.04
    limonene 70.79
    1,2-dimethoxyethane 121.56
    ethyl orthosilicate 82.82
    tributyl phosphate 36.02
    diacetone alcohol 80.53
    N,N-dimethylaniline 76.7
    acrylonitrile 12.99
    aniline 34.29
    1,3-propanediol 5.7
    bromobenzene 113.18
    dibromomethane 183.52
    1,1,2,2-tetrachloroethane 292.49
    2-methyl-cyclohexyl acetate 134.78
    tetrabutyl urea 62.16
    diisobutyl methanol 31.22
    2-phenylethanol 35.54
    styrene 55.16
    dioctyl adipate 93.24
    dimethyl sulfate 36.15
    ethyl butyrate 127.35
    methyl lactate 14.14
    butyl lactate 76.99
    diethyl carbonate 62.29
    propanediol butyl ether 36.13
    triethyl orthoformate 121.62
    p-tert-butyltoluene 35.7
    methyl 4-tert-butylbenzoate 128.66
    morpholine 105.91
    tert-butylamine 16.45
    n-dodecanol 14.08
    dimethoxymethane 42.56
    ethylene carbonate 57.33
    cyrene 82.48
    2-ethoxyethyl acetate 174.18
    2-ethylhexyl acetate 113.33
    1,2,4-trichlorobenzene 137.1
    4-methylpyridine 105.55
    dibutyl ether 113.5
    2,6-dimethyl-4-heptanol 31.22
    DEF 105.03
    dimethyl isosorbide 222.26
    tetrachloroethylene 161.57
    eugenol 83.08
    triacetin 138.79
    span 80 81.71
    1,4-butanediol 3.06
    1,1-dichloroethane 123.81
    2-methyl-1-pentanol 39.83
    methyl formate 8.32
    2-methyl-1-butanol 27.41
    n-decane 11.47
    butyronitrile 27.02
    3,7-dimethyl-1-octanol 40.32
    1-chlorooctane 50.66
    1-chlorotetradecane 13.88
    n-nonane 10.72
    undecane 6.22
    tert-butylcyclohexane 23.42
    cyclooctane 18.6
    cyclopentanol 30.55
    tetrahydropyran 178.85
    tert-amyl methyl ether 99.76
    2,5,8-trioxanonane 149.83
    1-hexene 45.88
    2-isopropoxyethanol 38.97
    2,2,2-trifluoroethanol 7.18
    methyl butyrate 129.54

    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