Stigmasteryl succinate

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  • Identifiers

    CAS number
    86674-63-7

    Molecular formula
    C33H52O4

    SMILES
    CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.51%
    Sandalwood 44.1%
    Balsamic 43.36%
    Amber 40.36%
    Dry 34.14%
    Vetiver 32.91%
    Cedar 32.29%
    Waxy 30.97%
    Herbal 30.19%
    Oily 30.11%

     

    Flavor
    Woody 37.23%
    Herbal 27.55%
    Waxy 23.21%
    Odorless 22.4%
    Mild 22.34%
    Sandalwood 20.75%
    Fruity 20.59%
    Wood 20.28%
    Cedarleaf 19.71%
    Low 19.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    6.14 (neutral)

    Molecular weight
    512.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    543°C

    Flash point

    • 273.33 ˚C est.

  • Synonyms

    • Stigmasteryl succinate
    • Stigmast
    • Stigmasterol hemisuccinate
    • UNII-DF85J9S55Z
    • DF85J9S55Z
    • 86674-63-7
    • DTXSID20235756
    • Stigmasta-5,22-dien-3-ol, hydrogen butanedioate, (3beta,22E)-
    • Stigmasta-5,22-dien-3-ol, 3-(hydrogen butanedioate), (3beta,22E)-
    • STIGMASTA-5,22-DIEN-3-OL, HYDROGEN BUTANEDIOATE, (3.BETA.,22E)-
    • STIGMASTA-5,22-DIEN-3-OL, 3-(HYDROGEN BUTANEDIOATE), (3.BETA.,22E)-
    • RefChem:185766
    • DTXCID50158247
    • STIGMASTERYL SUCCINATE [INCI]
    • SCHEMBL14782574
    • Stigmasteryl hemisuccinate (STEMS)
    • Q27276368
    • 4-Oxo-4-{[(22E)-stigmasta-5,22-dien-3beta-yl]oxy}butanoic acid
    • 86674-63-7

  • Applications

    Stigmasteryl succinate (CAS 86674-63-7) is a plant sterol ester primarily used in cosmetics and personal care as an emollient and conditioning ingredient. It is also utilized as a chemical intermediate in the synthesis of other sterol-based additives for industrial formulations. In polymers and plastics, it may act as a bio-based plasticizer or stabilizing component in certain biobased formulations. It can be incorporated into coatings and inks as an additive to improve texture, gloss, or slip. Additionally, it is sometimes evaluated as a lipid-based excipient or carrier in pharmaceutical formulations under appropriate regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.94
    methanol 4.37
    isopropanol 4.75
    water 0.01
    ethyl acetate 12.05
    n-propanol 11.36
    acetone 4.79
    n-butanol 11.01
    acetonitrile 1.47
    DMF 13.65
    toluene 9.34
    isobutanol 6.29
    1,4-dioxane 20.56
    methyl acetate 7.0
    THF 45.47
    2-butanone 13.66
    n-pentanol 10.01
    sec-butanol 6.22
    n-hexane 0.59
    ethylene glycol 0.35
    NMP 31.59
    cyclohexane 0.77
    DMSO 7.26
    n-butyl acetate 10.72
    n-octanol 3.86
    chloroform 37.82
    n-propyl acetate 9.24
    acetic acid 6.16
    dichloromethane 23.7
    cyclohexanone 24.59
    propylene glycol 1.16
    isopropyl acetate 10.4
    DMAc 43.54
    2-ethoxyethanol 18.64
    isopentanol 7.79
    n-heptane 0.43
    ethyl formate 4.38
    1,2-dichloroethane 11.79
    n-hexanol 9.67
    2-methoxyethanol 16.78
    isobutyl acetate 7.52
    tetrachloromethane 4.75
    n-pentyl acetate 12.15
    transcutol 54.11
    n-heptanol 6.16
    ethylbenzene 5.22
    MIBK 9.16
    2-propoxyethanol 35.99
    tert-butanol 3.4
    MTBE 7.93
    2-butoxyethanol 20.86
    propionic acid 5.48
    o-xylene 5.85
    formic acid 2.06
    diethyl ether 10.69
    m-xylene 5.95
    p-xylene 5.35
    chlorobenzene 9.97
    dimethyl carbonate 5.04
    n-octane 0.16
    formamide 2.67
    cyclopentanone 21.62
    2-pentanone 12.78
    anisole 13.87
    cyclopentyl methyl ether 17.39
    gamma-butyrolactone 21.05
    1-methoxy-2-propanol 18.89
    pyridine 19.95
    3-pentanone 11.58
    furfural 17.04
    n-dodecane 0.11
    diethylene glycol 9.39
    diisopropyl ether 2.72
    tert-amyl alcohol 4.91
    acetylacetone 11.56
    n-hexadecane 0.13
    acetophenone 13.0
    methyl propionate 11.27
    isopentyl acetate 12.58
    trichloroethylene 29.28
    n-nonanol 4.92
    cyclohexanol 7.4
    benzyl alcohol 10.53
    2-ethylhexanol 5.59
    isooctanol 5.12
    dipropyl ether 7.29
    1,2-dichlorobenzene 10.07
    ethyl lactate 6.1
    propylene carbonate 10.36
    n-methylformamide 5.39
    2-pentanol 5.48
    n-pentane 0.53
    1-propoxy-2-propanol 21.66
    1-methoxy-2-propyl acetate 21.48
    2-(2-methoxypropoxy) propanol 17.83
    mesitylene 2.96
    ε-caprolactone 27.23
    p-cymene 2.84
    epichlorohydrin 30.14
    1,1,1-trichloroethane 10.09
    2-aminoethanol 2.37
    morpholine-4-carbaldehyde 33.83
    sulfolane 22.55
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 22.05
    n-hexyl acetate 12.67
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 23.82
    sec-butyl acetate 8.56
    tert-butyl acetate 10.27
    decalin 0.69
    glycerin 2.41
    diglyme 40.82
    acrylic acid 3.94
    isopropyl myristate 4.07
    n-butyric acid 13.9
    acetyl acetate 7.26
    di(2-ethylhexyl) phthalate 6.57
    ethyl propionate 9.02
    nitromethane 7.45
    1,2-diethoxyethane 15.45
    benzonitrile 5.57
    trioctyl phosphate 3.85
    1-bromopropane 9.19
    gamma-valerolactone 46.02
    n-decanol 2.75
    triethyl phosphate 6.21
    4-methyl-2-pentanol 3.93
    propionitrile 3.29
    vinylene carbonate 10.99
    1,1,2-trichlorotrifluoroethane 20.25
    DMS 8.38
    cumene 3.57
    2-octanol 2.98
    2-hexanone 11.72
    octyl acetate 5.84
    limonene 3.58
    1,2-dimethoxyethane 27.15
    ethyl orthosilicate 7.3
    tributyl phosphate 4.1
    diacetone alcohol 11.39
    N,N-dimethylaniline 10.0
    acrylonitrile 3.46
    aniline 9.93
    1,3-propanediol 6.47
    bromobenzene 10.13
    dibromomethane 16.07
    1,1,2,2-tetrachloroethane 25.14
    2-methyl-cyclohexyl acetate 11.54
    tetrabutyl urea 6.53
    diisobutyl methanol 2.68
    2-phenylethanol 13.79
    styrene 5.69
    dioctyl adipate 7.74
    dimethyl sulfate 8.58
    ethyl butyrate 10.23
    methyl lactate 6.63
    butyl lactate 10.61
    diethyl carbonate 5.79
    propanediol butyl ether 10.39
    triethyl orthoformate 10.53
    p-tert-butyltoluene 2.58
    methyl 4-tert-butylbenzoate 15.24
    morpholine 32.5
    tert-butylamine 2.04
    n-dodecanol 1.58
    dimethoxymethane 17.97
    ethylene carbonate 9.5
    cyrene 17.49
    2-ethoxyethyl acetate 20.6
    2-ethylhexyl acetate 10.37
    1,2,4-trichlorobenzene 14.05
    4-methylpyridine 18.04
    dibutyl ether 3.91
    2,6-dimethyl-4-heptanol 2.68
    DEF 17.28
    dimethyl isosorbide 29.84
    tetrachloroethylene 16.63
    eugenol 16.02
    triacetin 13.94
    span 80 13.76
    1,4-butanediol 2.57
    1,1-dichloroethane 9.98
    2-methyl-1-pentanol 8.48
    methyl formate 3.18
    2-methyl-1-butanol 8.55
    n-decane 0.27
    butyronitrile 4.7
    3,7-dimethyl-1-octanol 3.87
    1-chlorooctane 1.78
    1-chlorotetradecane 0.5
    n-nonane 0.22
    undecane 0.16
    tert-butylcyclohexane 0.56
    cyclooctane 0.35
    cyclopentanol 6.46
    tetrahydropyran 22.66
    tert-amyl methyl ether 7.56
    2,5,8-trioxanonane 24.73
    1-hexene 2.94
    2-isopropoxyethanol 13.63
    2,2,2-trifluoroethanol 2.85
    methyl butyrate 11.04

    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