Hexyldioxodecyl methyl tyrosinate

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  • Identifiers

    CAS number
    943454-45-3

    Molecular formula
    C26H41NO5

    SMILES
    CCCCCCCC(=O)C(CCCCCC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 45.61%
    Odorless 35.24%
    Cooling 35.18%
    Spicy 32.24%
    Savory 31.59%
    Mint 30.37%
    Fresh 26.15%
    Woody 25.33%
    Lactonic 25.22%
    Citrus 25.13%

     

    Flavor
    Odorless 40.27%
    Bland 38.04%
    Bitter 37.49%
    Mild 28.32%
    Herbal 24.77%
    Cedarleaf 19.87%
    Sweet-like 19.56%
    Lovage 19.54%
    Parsley 19.43%
    Heather 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    8.21 (weak base)

    Molecular weight
    447.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    734°C

    Flash point

    • 220.46 ˚C est.

  • Synonyms

    • Hexyldioxodecyl methyl tyrosinate
    • K6EAAL-19
    • UNII-NBY5E976UV
    • NBY5E976UV
    • Hexyldioxodecyl methyl tyrosinate [INCI]
    • L-Tyrosine, N-(2-hexyl-1,3-dioxodecyl)-, methyl ester
    • 943454-45-3
    • DTXSID40241435
    • RefChem:146368
    • DTXCID40163926
    • Methyl N-(2-hexyl-3-oxodecanoyl)-L-tyrosinate
    • Q27284783
    • 943454-45-3

  • Applications

    Hexyldioxodecyl methyl tyrosinate (CAS 943454-45-3) is primarily used as a fragrance ingredient and as a fragrance fixative in the perfumery and cosmetics industries, and can also serve as an intermediate in the synthesis of aroma-related compounds. It may be employed as a functional ester in cosmetic formulations to support scent adhesion and longevity in products such as creams, lotions, and personal care items. In industrial manufacturing, the compound can act as an intermediate in the production of fragrance chemicals, and in coatings or inks it may be used as a fragrance additive. Actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.77
    methanol 144.21
    isopropanol 45.3
    water 0.21
    ethyl acetate 89.99
    n-propanol 72.85
    acetone 207.5
    n-butanol 49.85
    acetonitrile 39.36
    DMF 276.98
    toluene 26.34
    isobutanol 43.05
    1,4-dioxane 108.25
    methyl acetate 96.86
    THF 283.26
    2-butanone 150.22
    n-pentanol 45.57
    sec-butanol 55.22
    n-hexane 1.0
    ethylene glycol 11.26
    NMP 461.07
    cyclohexane 2.01
    DMSO 457.0
    n-butyl acetate 39.06
    n-octanol 13.54
    chloroform 170.23
    n-propyl acetate 50.29
    acetic acid 234.7
    dichloromethane 189.79
    cyclohexanone 263.98
    propylene glycol 29.65
    isopropyl acetate 59.97
    DMAc 657.3
    2-ethoxyethanol 124.32
    isopentanol 40.69
    n-heptane 0.5
    ethyl formate 52.64
    1,2-dichloroethane 149.77
    n-hexanol 20.86
    2-methoxyethanol 179.25
    isobutyl acetate 28.14
    tetrachloromethane 22.0
    n-pentyl acetate 45.27
    transcutol 345.67
    n-heptanol 17.22
    ethylbenzene 15.14
    MIBK 56.27
    2-propoxyethanol 89.35
    tert-butanol 51.88
    MTBE 42.3
    2-butoxyethanol 69.71
    propionic acid 101.23
    o-xylene 22.39
    formic acid 87.97
    diethyl ether 32.23
    m-xylene 15.81
    p-xylene 20.85
    chlorobenzene 47.69
    dimethyl carbonate 60.57
    n-octane 0.48
    formamide 149.12
    cyclopentanone 299.37
    2-pentanone 100.51
    anisole 42.12
    cyclopentyl methyl ether 77.25
    gamma-butyrolactone 303.9
    1-methoxy-2-propanol 128.68
    pyridine 117.35
    3-pentanone 87.57
    furfural 191.57
    n-dodecane 0.46
    diethylene glycol 60.77
    diisopropyl ether 8.13
    tert-amyl alcohol 61.37
    acetylacetone 175.93
    n-hexadecane 0.52
    acetophenone 67.04
    methyl propionate 95.15
    isopentyl acetate 40.27
    trichloroethylene 282.42
    n-nonanol 14.4
    cyclohexanol 60.84
    benzyl alcohol 55.18
    2-ethylhexanol 12.47
    isooctanol 14.96
    dipropyl ether 12.62
    1,2-dichlorobenzene 50.52
    ethyl lactate 39.51
    propylene carbonate 124.07
    n-methylformamide 129.58
    2-pentanol 27.89
    n-pentane 0.72
    1-propoxy-2-propanol 52.9
    1-methoxy-2-propyl acetate 73.09
    2-(2-methoxypropoxy) propanol 68.31
    mesitylene 8.32
    ε-caprolactone 203.99
    p-cymene 7.18
    epichlorohydrin 284.37
    1,1,1-trichloroethane 107.26
    2-aminoethanol 43.07
    morpholine-4-carbaldehyde 259.41
    sulfolane 454.67
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 134.5
    n-hexyl acetate 48.42
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 100.74
    sec-butyl acetate 35.84
    tert-butyl acetate 65.8
    decalin 2.1
    glycerin 51.12
    diglyme 195.83
    acrylic acid 90.4
    isopropyl myristate 13.75
    n-butyric acid 118.55
    acetyl acetate 71.9
    di(2-ethylhexyl) phthalate 25.23
    ethyl propionate 48.06
    nitromethane 328.27
    1,2-diethoxyethane 66.3
    benzonitrile 42.07
    trioctyl phosphate 14.9
    1-bromopropane 41.45
    gamma-valerolactone 392.0
    n-decanol 9.34
    triethyl phosphate 25.71
    4-methyl-2-pentanol 15.83
    propionitrile 36.56
    vinylene carbonate 97.19
    1,1,2-trichlorotrifluoroethane 247.03
    DMS 56.76
    cumene 10.21
    2-octanol 11.55
    2-hexanone 62.23
    octyl acetate 21.48
    limonene 10.96
    1,2-dimethoxyethane 144.86
    ethyl orthosilicate 23.77
    tributyl phosphate 20.3
    diacetone alcohol 104.94
    N,N-dimethylaniline 34.24
    acrylonitrile 52.3
    aniline 52.58
    1,3-propanediol 68.3
    bromobenzene 42.52
    dibromomethane 89.95
    1,1,2,2-tetrachloroethane 244.95
    2-methyl-cyclohexyl acetate 34.53
    tetrabutyl urea 30.48
    diisobutyl methanol 7.58
    2-phenylethanol 36.0
    styrene 19.63
    dioctyl adipate 31.38
    dimethyl sulfate 137.49
    ethyl butyrate 32.44
    methyl lactate 72.95
    butyl lactate 49.74
    diethyl carbonate 23.97
    propanediol butyl ether 62.15
    triethyl orthoformate 28.71
    p-tert-butyltoluene 6.72
    methyl 4-tert-butylbenzoate 66.6
    morpholine 173.96
    tert-butylamine 17.98
    n-dodecanol 6.17
    dimethoxymethane 158.56
    ethylene carbonate 86.03
    cyrene 90.01
    2-ethoxyethyl acetate 93.31
    2-ethylhexyl acetate 28.31
    1,2,4-trichlorobenzene 73.73
    4-methylpyridine 100.68
    dibutyl ether 14.97
    2,6-dimethyl-4-heptanol 7.58
    DEF 141.94
    dimethyl isosorbide 122.74
    tetrachloroethylene 144.36
    eugenol 60.92
    triacetin 80.32
    span 80 54.4
    1,4-butanediol 31.11
    1,1-dichloroethane 105.17
    2-methyl-1-pentanol 44.39
    methyl formate 94.82
    2-methyl-1-butanol 48.52
    n-decane 0.84
    butyronitrile 33.76
    3,7-dimethyl-1-octanol 13.45
    1-chlorooctane 6.91
    1-chlorotetradecane 2.42
    n-nonane 0.66
    undecane 0.6
    tert-butylcyclohexane 1.56
    cyclooctane 0.6
    cyclopentanol 76.84
    tetrahydropyran 102.99
    tert-amyl methyl ether 43.68
    2,5,8-trioxanonane 123.78
    1-hexene 7.53
    2-isopropoxyethanol 77.06
    2,2,2-trifluoroethanol 86.62
    methyl butyrate 68.55

    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