(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22-hexatriacontahexaen-1-ol

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  • Identifiers

    CAS number
    121254-96-4

    Molecular formula
    C45H80O

    SMILES
    C[C@@H](CCC[C@@H](C)CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)/C)/C)/C)/C)/C)/C)CCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 72.88%
    Green 58.41%
    Waxy 58.31%
    Balsamic 52.22%
    Oily 44.05%
    Woody 41.65%
    Rose 35.25%
    Sweet 34.17%
    Fruity 33.36%
    Muguet 30.99%

     

    Flavor
    Balsam 39.21%
    Waxy 36.58%
    Floral 36.47%
    Flower 26.63%
    Mild 26.49%
    Wood 25.46%
    Citrus 24.44%
    Diterpene 24.38%
    Wax 24.2%
    Delicate 24.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.5

    pKa est.
    10.18 (weak base)

    Molecular weight
    637.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    660°C

    Flash point

    • 264.39 ˚C est.

  • Synonyms

    • 121254-96-4
    • (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22-hexatriacontahexaen-1-ol
    • RefChem:207267
    • DTXSID501109165
    • 121254-96-4

  • Applications

    For the chemical (2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22-hexatriacontahexaen-1-ol (CAS 121254-96-4), typical applications include use as a fragrance ingredient in perfumery where it can function as a fixative and odor carrier; as an emollient or oil component in cosmetics and personal care formulations; as a processing aid or plasticizer additive in coatings, inks, and polymer formulations to improve flexibility and handling; as an industrial solvent or carrier in cleaning formulations and various manufacturing fluids; and as an intermediate in the synthesis of other terpenoid or specialty aroma chemicals in custom chemical production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.24
    methanol 0.23
    isopropanol 0.09
    water 0.0
    ethyl acetate 2.12
    n-propanol 0.35
    acetone 0.55
    n-butanol 0.5
    acetonitrile 0.1
    DMF 0.76
    toluene 3.61
    isobutanol 0.26
    1,4-dioxane 2.9
    methyl acetate 0.77
    THF 11.96
    2-butanone 1.96
    n-pentanol 0.74
    sec-butanol 0.36
    n-hexane 0.91
    ethylene glycol 0.01
    NMP 5.27
    cyclohexane 1.03
    DMSO 0.65
    n-butyl acetate 3.91
    n-octanol 0.85
    chloroform 9.32
    n-propyl acetate 2.91
    acetic acid 0.31
    dichloromethane 7.43
    cyclohexanone 6.05
    propylene glycol 0.03
    isopropyl acetate 2.26
    DMAc 4.2
    2-ethoxyethanol 1.31
    isopentanol 0.58
    n-heptane 1.09
    ethyl formate 0.64
    1,2-dichloroethane 3.08
    n-hexanol 0.8
    2-methoxyethanol 0.66
    isobutyl acetate 2.77
    tetrachloromethane 1.54
    n-pentyl acetate 5.29
    transcutol 12.69
    n-heptanol 1.06
    ethylbenzene 3.43
    MIBK 2.42
    2-propoxyethanol 2.03
    tert-butanol 0.17
    MTBE 2.17
    2-butoxyethanol 3.07
    propionic acid 0.32
    o-xylene 2.53
    formic acid 0.07
    diethyl ether 1.91
    m-xylene 2.92
    p-xylene 3.02
    chlorobenzene 3.46
    dimethyl carbonate 0.48
    n-octane 0.37
    formamide 0.11
    cyclopentanone 5.13
    2-pentanone 2.23
    anisole 5.44
    cyclopentyl methyl ether 6.8
    gamma-butyrolactone 3.95
    1-methoxy-2-propanol 0.83
    pyridine 3.87
    3-pentanone 2.63
    furfural 3.64
    n-dodecane 0.16
    diethylene glycol 0.26
    diisopropyl ether 1.12
    tert-amyl alcohol 0.69
    acetylacetone 2.35
    n-hexadecane 0.19
    acetophenone 4.56
    methyl propionate 1.57
    isopentyl acetate 5.19
    trichloroethylene 7.68
    n-nonanol 1.24
    cyclohexanol 0.91
    benzyl alcohol 1.27
    2-ethylhexanol 1.78
    isooctanol 1.41
    dipropyl ether 5.73
    1,2-dichlorobenzene 4.37
    ethyl lactate 0.86
    propylene carbonate 2.58
    n-methylformamide 0.24
    2-pentanol 0.37
    n-pentane 0.36
    1-propoxy-2-propanol 2.66
    1-methoxy-2-propyl acetate 5.2
    2-(2-methoxypropoxy) propanol 5.28
    mesitylene 1.88
    ε-caprolactone 7.14
    p-cymene 2.52
    epichlorohydrin 6.65
    1,1,1-trichloroethane 3.72
    2-aminoethanol 0.04
    morpholine-4-carbaldehyde 3.71
    sulfolane 5.6
    2,2,4-trimethylpentane 0.77
    2-methyltetrahydrofuran 8.51
    n-hexyl acetate 4.9
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 5.06
    sec-butyl acetate 3.95
    tert-butyl acetate 4.64
    decalin 1.36
    glycerin 0.05
    diglyme 13.77
    acrylic acid 0.2
    isopropyl myristate 2.28
    n-butyric acid 1.27
    acetyl acetate 1.3
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 3.65
    nitromethane 0.54
    1,2-diethoxyethane 7.63
    benzonitrile 0.99
    trioctyl phosphate 0.99
    1-bromopropane 3.63
    gamma-valerolactone 8.56
    n-decanol 0.74
    triethyl phosphate 4.19
    4-methyl-2-pentanol 0.48
    propionitrile 0.28
    vinylene carbonate 1.9
    1,1,2-trichlorotrifluoroethane 2.81
    DMS 1.5
    cumene 2.46
    2-octanol 0.75
    2-hexanone 3.81
    octyl acetate 2.32
    limonene 4.07
    1,2-dimethoxyethane 5.08
    ethyl orthosilicate 6.04
    tributyl phosphate 1.35
    diacetone alcohol 2.16
    N,N-dimethylaniline 4.74
    acrylonitrile 0.24
    aniline 1.25
    1,3-propanediol 0.13
    bromobenzene 5.53
    dibromomethane 5.09
    1,1,2,2-tetrachloroethane 7.04
    2-methyl-cyclohexyl acetate 8.28
    tetrabutyl urea 2.31
    diisobutyl methanol 1.38
    2-phenylethanol 1.77
    styrene 2.82
    dioctyl adipate 4.04
    dimethyl sulfate 1.01
    ethyl butyrate 6.93
    methyl lactate 0.39
    butyl lactate 2.42
    diethyl carbonate 2.98
    propanediol butyl ether 1.15
    triethyl orthoformate 8.89
    p-tert-butyltoluene 2.48
    methyl 4-tert-butylbenzoate 7.35
    morpholine 3.52
    tert-butylamine 0.17
    n-dodecanol 0.46
    dimethoxymethane 1.54
    ethylene carbonate 1.61
    cyrene 4.66
    2-ethoxyethyl acetate 6.24
    2-ethylhexyl acetate 6.39
    1,2,4-trichlorobenzene 5.15
    4-methylpyridine 3.83
    dibutyl ether 4.5
    2,6-dimethyl-4-heptanol 1.38
    DEF 2.99
    dimethyl isosorbide 13.81
    tetrachloroethylene 4.03
    eugenol 4.21
    triacetin 4.69
    span 80 3.42
    1,4-butanediol 0.07
    1,1-dichloroethane 1.99
    2-methyl-1-pentanol 1.37
    methyl formate 0.22
    2-methyl-1-butanol 0.75
    n-decane 0.48
    butyronitrile 0.5
    3,7-dimethyl-1-octanol 1.41
    1-chlorooctane 1.82
    1-chlorotetradecane 0.52
    n-nonane 0.42
    undecane 0.25
    tert-butylcyclohexane 1.3
    cyclooctane 0.73
    cyclopentanol 0.63
    tetrahydropyran 6.05
    tert-amyl methyl ether 4.47
    2,5,8-trioxanonane 7.96
    1-hexene 2.12
    2-isopropoxyethanol 1.29
    2,2,2-trifluoroethanol 0.12
    methyl butyrate 4.18

    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