Turbinaric acid

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  • Identifiers

    CAS number
    56882-00-9

    Molecular formula
    C27H44O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.52%
    Waxy 55.98%
    Green 52.8%
    Balsamic 47.56%
    Oily 43.41%
    Sweet 42.02%
    Woody 41.91%
    Rose 41.13%
    Muguet 32.54%
    Fruity 28.56%

     

    Flavor
    Floral 52.46%
    Balsam 37.27%
    Waxy 36.77%
    Citrus 33.24%
    Sweet 32.07%
    Woody 30.76%
    Wood 30.1%
    Balsamic 28.74%
    Fresh 28.48%
    Wax 28.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    8.6 (weak base)

    Molecular weight
    400.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    437°C

    Flash point

    • 227.17 ˚C est.

  • Synonyms

    • Turbinaric acid
    • 56882-00-9
    • (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
    • 4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid
    • RefChem:192563
    • CHEMBL484234
    • orb1707788
    • SCHEMBL2230248
    • AKOS027324599
    • DA-78704
    • HY-111604
    • CS-0088414
    • (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoicacid
    • 4,8,12,16,20-Docosapentaenoic acid, 4,8,13,17,21-pentamethyl-, (all E)-
    • 56882-00-9

  • Applications

    Turbinaric acid (CAS 56882-00-9) is primarily used as an intermediate in the synthesis of specialty chemicals and may be employed as a solvent or co-solvent in industrial formulations. In industrial manufacturing and processing, it often serves as an intermediate and may act as a stabilizer or plasticizer in polymers and coatings/inks. It may be evaluated for applications as a chelating agent or cleaning formulation aid in cleaning products. In cosmetics and personal care, it can be used as a processing aid or solvent for fragrance components. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.5
    methanol 1.13
    isopropanol 0.98
    water 0.0
    ethyl acetate 4.17
    n-propanol 1.87
    acetone 2.07
    n-butanol 2.2
    acetonitrile 0.37
    DMF 4.64
    toluene 4.11
    isobutanol 1.27
    1,4-dioxane 9.09
    methyl acetate 2.19
    THF 42.46
    2-butanone 5.31
    n-pentanol 3.41
    sec-butanol 2.25
    n-hexane 2.14
    ethylene glycol 0.03
    NMP 15.92
    cyclohexane 1.48
    DMSO 4.24
    n-butyl acetate 8.19
    n-octanol 2.92
    chloroform 21.07
    n-propyl acetate 7.02
    acetic acid 1.14
    dichloromethane 14.32
    cyclohexanone 10.69
    propylene glycol 0.2
    isopropyl acetate 5.4
    DMAc 23.37
    2-ethoxyethanol 6.61
    isopentanol 2.63
    n-heptane 1.49
    ethyl formate 1.26
    1,2-dichloroethane 7.06
    n-hexanol 3.56
    2-methoxyethanol 3.29
    isobutyl acetate 6.69
    tetrachloromethane 2.84
    n-pentyl acetate 9.91
    transcutol 54.94
    n-heptanol 3.24
    ethylbenzene 5.69
    MIBK 6.28
    2-propoxyethanol 9.05
    tert-butanol 2.2
    MTBE 10.58
    2-butoxyethanol 9.65
    propionic acid 1.02
    o-xylene 4.01
    formic acid 0.23
    diethyl ether 6.43
    m-xylene 3.92
    p-xylene 5.82
    chlorobenzene 4.24
    dimethyl carbonate 1.12
    n-octane 0.63
    formamide 0.4
    cyclopentanone 11.45
    2-pentanone 5.5
    anisole 12.1
    cyclopentyl methyl ether 13.49
    gamma-butyrolactone 8.51
    1-methoxy-2-propanol 4.76
    pyridine 7.06
    3-pentanone 5.25
    furfural 6.76
    n-dodecane 0.33
    diethylene glycol 1.5
    diisopropyl ether 3.37
    tert-amyl alcohol 4.97
    acetylacetone 5.53
    n-hexadecane 0.39
    acetophenone 10.21
    methyl propionate 3.08
    isopentyl acetate 11.37
    trichloroethylene 16.08
    n-nonanol 3.89
    cyclohexanol 2.43
    benzyl alcohol 3.63
    2-ethylhexanol 4.47
    isooctanol 3.89
    dipropyl ether 11.52
    1,2-dichlorobenzene 5.93
    ethyl lactate 2.68
    propylene carbonate 5.05
    n-methylformamide 0.91
    2-pentanol 1.95
    n-pentane 0.82
    1-propoxy-2-propanol 10.17
    1-methoxy-2-propyl acetate 13.64
    2-(2-methoxypropoxy) propanol 19.16
    mesitylene 2.88
    ε-caprolactone 13.02
    p-cymene 4.04
    epichlorohydrin 17.67
    1,1,1-trichloroethane 8.25
    2-aminoethanol 0.26
    morpholine-4-carbaldehyde 12.97
    sulfolane 14.07
    2,2,4-trimethylpentane 1.61
    2-methyltetrahydrofuran 21.78
    n-hexyl acetate 12.29
    isooctane 0.84
    2-(2-butoxyethoxy)ethanol 19.89
    sec-butyl acetate 9.21
    tert-butyl acetate 11.86
    decalin 2.19
    glycerin 0.36
    diglyme 42.75
    acrylic acid 0.57
    isopropyl myristate 5.44
    n-butyric acid 2.91
    acetyl acetate 2.38
    di(2-ethylhexyl) phthalate 4.72
    ethyl propionate 7.28
    nitromethane 1.88
    1,2-diethoxyethane 22.17
    benzonitrile 2.21
    trioctyl phosphate 2.59
    1-bromopropane 7.55
    gamma-valerolactone 19.17
    n-decanol 2.43
    triethyl phosphate 7.2
    4-methyl-2-pentanol 2.32
    propionitrile 0.89
    vinylene carbonate 3.24
    1,1,2-trichlorotrifluoroethane 7.9
    DMS 4.19
    cumene 4.7
    2-octanol 2.51
    2-hexanone 10.38
    octyl acetate 5.76
    limonene 5.97
    1,2-dimethoxyethane 20.81
    ethyl orthosilicate 10.14
    tributyl phosphate 3.5
    diacetone alcohol 8.55
    N,N-dimethylaniline 11.93
    acrylonitrile 0.7
    aniline 2.39
    1,3-propanediol 0.7
    bromobenzene 5.64
    dibromomethane 9.9
    1,1,2,2-tetrachloroethane 18.55
    2-methyl-cyclohexyl acetate 16.04
    tetrabutyl urea 6.44
    diisobutyl methanol 3.91
    2-phenylethanol 5.05
    styrene 4.57
    dioctyl adipate 9.49
    dimethyl sulfate 2.54
    ethyl butyrate 11.28
    methyl lactate 1.21
    butyl lactate 6.74
    diethyl carbonate 5.22
    propanediol butyl ether 5.57
    triethyl orthoformate 15.01
    p-tert-butyltoluene 4.25
    methyl 4-tert-butylbenzoate 15.81
    morpholine 14.2
    tert-butylamine 1.9
    n-dodecanol 1.58
    dimethoxymethane 6.15
    ethylene carbonate 2.62
    cyrene 14.54
    2-ethoxyethyl acetate 14.12
    2-ethylhexyl acetate 11.32
    1,2,4-trichlorobenzene 7.69
    4-methylpyridine 7.66
    dibutyl ether 10.71
    2,6-dimethyl-4-heptanol 3.91
    DEF 7.92
    dimethyl isosorbide 43.32
    tetrachloroethylene 8.76
    eugenol 12.24
    triacetin 12.17
    span 80 12.72
    1,4-butanediol 0.37
    1,1-dichloroethane 5.7
    2-methyl-1-pentanol 5.64
    methyl formate 0.58
    2-methyl-1-butanol 2.82
    n-decane 0.92
    butyronitrile 1.52
    3,7-dimethyl-1-octanol 4.59
    1-chlorooctane 3.73
    1-chlorotetradecane 1.11
    n-nonane 0.8
    undecane 0.51
    tert-butylcyclohexane 2.46
    cyclooctane 0.78
    cyclopentanol 2.1
    tetrahydropyran 15.34
    tert-amyl methyl ether 13.9
    2,5,8-trioxanonane 29.05
    1-hexene 5.84
    2-isopropoxyethanol 6.24
    2,2,2-trifluoroethanol 0.38
    methyl butyrate 8.71

    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