Sebiferenic acid

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  • Identifiers

    CAS number
    94390-09-7

    Molecular formula
    C30H48O4

    SMILES
    C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@@]4(C2=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.71%
    Amber 57.11%
    Dry 50.74%
    Cedar 49.92%
    Balsamic 43.73%
    Musk 42.35%
    Spicy 38.31%
    Sandalwood 36.78%
    Camphoreous 34.1%
    Vetiver 32.78%

     

    Flavor
    Woody 62.42%
    Camphor 45.32%
    Sweet 45.26%
    Pine 44.78%
    Balsam 41.27%
    Herbal 35.69%
    Bitter 34.57%
    Spicy 32.48%
    Dry 31.32%
    Earthy 31.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.12 (neutral)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    219°C

    Flash point

    • 275.81 ˚C est.

  • Synonyms

    • Sebiferenic acid
    • 94390-09-7
    • CHEMBL469925
    • 27-Norolean-14-en-28-oic acid, 2,3-dihydroxy-13-methyl-, (2a,3b,13a)-
    • (4aS,6aR,6bR,8aR,10R,11R,12aR,14aS,14bS)-10,11-dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
    • 2alpha-hydroxymaprounic acid
    • orb1992654
    • SCHEMBL30337079
    • CHEBI:175719
    • DTXSID401169518
    • BDBM50478513
    • AKOS032948301
    • FS-9187
    • (2|A,3|A,13|A)-2,3-Dihydroxy-13-methyl-27-norolean-14-en-28-oic acid
    • (2I+/-,3I(2),13I+/-)-2,3-Dihydroxy-13-methyl-27-norolean-14-en-28-oic acid
    • (4aS,6bR,8aR,10R,11R,12aR,12bR,14aS,14bS)-10,11-Dihydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid
    • 94390-09-7

  • Applications

    Sebiferenic acid (CAS 94390-09-7) is primarily used as an aliphatic dicarboxylic acid building block in polymer synthesis, functioning as a monomer or co-monomer for polyesters and related resins. It serves as a precursor to sebicate-type esters that act as plasticizers or processing aids in plastics, coatings, and adhesives. In coatings and inks, it can function as a resin modifier or coupling component to influence film properties and cure behavior. It may be employed as a chemical intermediate to prepare ester derivatives for lubricant additives and specialty esters used in industrial formulations. It is sometimes evaluated as a feedstock for manufacturing intermediates in detergents, cleaners, and other cleaning formulations, with use governed by regulatory and formulation limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.64
    methanol 12.89
    isopropanol 7.6
    water 0.01
    ethyl acetate 3.54
    n-propanol 14.72
    acetone 5.31
    n-butanol 10.08
    acetonitrile 1.31
    DMF 58.87
    toluene 4.08
    isobutanol 7.49
    1,4-dioxane 26.5
    methyl acetate 3.36
    THF 66.93
    2-butanone 7.59
    n-pentanol 7.31
    sec-butanol 4.89
    n-hexane 0.24
    ethylene glycol 1.37
    NMP 30.56
    cyclohexane 0.18
    DMSO 14.36
    n-butyl acetate 4.19
    n-octanol 3.45
    chloroform 9.39
    n-propyl acetate 2.89
    acetic acid 4.78
    dichloromethane 5.57
    cyclohexanone 10.51
    propylene glycol 4.1
    isopropyl acetate 3.55
    DMAc 28.49
    2-ethoxyethanol 17.98
    isopentanol 5.34
    n-heptane 0.22
    ethyl formate 2.54
    1,2-dichloroethane 3.68
    n-hexanol 8.14
    2-methoxyethanol 30.94
    isobutyl acetate 2.73
    tetrachloromethane 1.18
    n-pentyl acetate 7.41
    transcutol 27.08
    n-heptanol 6.58
    ethylbenzene 2.05
    MIBK 4.5
    2-propoxyethanol 41.51
    tert-butanol 4.49
    MTBE 4.07
    2-butoxyethanol 23.43
    propionic acid 3.88
    o-xylene 2.16
    formic acid 2.99
    diethyl ether 5.84
    m-xylene 2.98
    p-xylene 1.89
    chlorobenzene 3.06
    dimethyl carbonate 4.19
    n-octane 0.1
    formamide 3.98
    cyclopentanone 20.66
    2-pentanone 6.41
    anisole 5.66
    cyclopentyl methyl ether 12.29
    gamma-butyrolactone 16.45
    1-methoxy-2-propanol 33.23
    pyridine 16.94
    3-pentanone 4.45
    furfural 12.82
    n-dodecane 0.04
    diethylene glycol 18.19
    diisopropyl ether 1.26
    tert-amyl alcohol 3.34
    acetylacetone 6.9
    n-hexadecane 0.05
    acetophenone 5.17
    methyl propionate 5.87
    isopentyl acetate 4.57
    trichloroethylene 9.28
    n-nonanol 3.78
    cyclohexanol 3.89
    benzyl alcohol 7.57
    2-ethylhexanol 2.92
    isooctanol 4.63
    dipropyl ether 4.16
    1,2-dichlorobenzene 2.6
    ethyl lactate 3.29
    propylene carbonate 5.07
    n-methylformamide 12.81
    2-pentanol 3.72
    n-pentane 0.25
    1-propoxy-2-propanol 23.43
    1-methoxy-2-propyl acetate 11.67
    2-(2-methoxypropoxy) propanol 11.41
    mesitylene 1.45
    ε-caprolactone 9.43
    p-cymene 1.51
    epichlorohydrin 22.31
    1,1,1-trichloroethane 2.27
    2-aminoethanol 7.42
    morpholine-4-carbaldehyde 43.94
    sulfolane 19.73
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 13.33
    n-hexyl acetate 7.14
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 18.65
    sec-butyl acetate 2.15
    tert-butyl acetate 4.42
    decalin 0.21
    glycerin 6.86
    diglyme 28.87
    acrylic acid 3.79
    isopropyl myristate 1.64
    n-butyric acid 6.23
    acetyl acetate 2.26
    di(2-ethylhexyl) phthalate 3.66
    ethyl propionate 2.75
    nitromethane 6.6
    1,2-diethoxyethane 7.38
    benzonitrile 3.59
    trioctyl phosphate 2.49
    1-bromopropane 2.21
    gamma-valerolactone 36.79
    n-decanol 1.82
    triethyl phosphate 1.87
    4-methyl-2-pentanol 2.47
    propionitrile 2.62
    vinylene carbonate 5.71
    1,1,2-trichlorotrifluoroethane 14.48
    DMS 4.84
    cumene 1.39
    2-octanol 2.72
    2-hexanone 4.59
    octyl acetate 2.78
    limonene 1.68
    1,2-dimethoxyethane 20.38
    ethyl orthosilicate 2.23
    tributyl phosphate 1.87
    diacetone alcohol 7.98
    N,N-dimethylaniline 4.77
    acrylonitrile 3.57
    aniline 6.09
    1,3-propanediol 11.33
    bromobenzene 2.62
    dibromomethane 3.52
    1,1,2,2-tetrachloroethane 7.72
    2-methyl-cyclohexyl acetate 3.71
    tetrabutyl urea 3.13
    diisobutyl methanol 1.67
    2-phenylethanol 9.21
    styrene 2.04
    dioctyl adipate 3.26
    dimethyl sulfate 6.74
    ethyl butyrate 2.75
    methyl lactate 6.58
    butyl lactate 8.35
    diethyl carbonate 1.56
    propanediol butyl ether 17.18
    triethyl orthoformate 3.47
    p-tert-butyltoluene 1.57
    methyl 4-tert-butylbenzoate 9.76
    morpholine 44.71
    tert-butylamine 1.83
    n-dodecanol 0.84
    dimethoxymethane 38.65
    ethylene carbonate 4.35
    cyrene 12.79
    2-ethoxyethyl acetate 12.06
    2-ethylhexyl acetate 3.52
    1,2,4-trichlorobenzene 4.13
    4-methylpyridine 10.7
    dibutyl ether 1.62
    2,6-dimethyl-4-heptanol 1.67
    DEF 9.04
    dimethyl isosorbide 18.35
    tetrachloroethylene 5.72
    eugenol 11.6
    triacetin 6.44
    span 80 11.04
    1,4-butanediol 4.12
    1,1-dichloroethane 2.75
    2-methyl-1-pentanol 4.1
    methyl formate 6.43
    2-methyl-1-butanol 5.41
    n-decane 0.12
    butyronitrile 2.76
    3,7-dimethyl-1-octanol 2.47
    1-chlorooctane 0.82
    1-chlorotetradecane 0.16
    n-nonane 0.11
    undecane 0.06
    tert-butylcyclohexane 0.21
    cyclooctane 0.12
    cyclopentanol 6.74
    tetrahydropyran 13.76
    tert-amyl methyl ether 3.05
    2,5,8-trioxanonane 15.54
    1-hexene 1.07
    2-isopropoxyethanol 10.34
    2,2,2-trifluoroethanol 1.66
    methyl butyrate 3.51

    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