Stigmasterol

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  • Identifiers

    CAS number
    83-48-7

    Molecular formula
    C29H48O

    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)O)C)C)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 83.15%
    Sandalwood 55.04%
    Balsamic 42.53%
    Amber 38.86%
    Waxy 38.57%
    Herbal 35.71%
    Vetiver 35.23%
    Oily 35.03%
    Dry 34.98%
    Spicy 32.16%

     

    Flavor
    Woody 46.23%
    Wood 39.45%
    Herb 37.41%
    Herbal 34.79%
    Spice 32.5%
    Waxy 24.66%
    Fir needle 21.92%
    Terpentine 21.62%
    Low 21.39%
    Diterpene 21.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    412.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    466°C

    Melting point expt.

    • 170 °C

    Flash point

    • 221.75 ˚C est.

    Solubility expt.

    • Very soluble in benzene, ethyl ether, ethanol
    • Soluble in the usual organic solvents

  • Synonyms

    • STIGMASTEROL
    • 83-48-7
    • Stigmasterin
    • beta-Stigmasterol
    • (24S)-5,22-Stigmastadien-3beta-ol
    • Stigmasta-5,22-dien-3beta-ol
    • 99WUK5D0Y8
    • (3beta,22E)-Stigmasta-5,22-dien-3-ol
    • NSC-8095
    • Stigmasta-5,22-dien-3-ol, (3beta,22E)-
    • Stigmasta-5,22-dien-3-ol, (3beta)-
    • CHEBI:28824
    • DTXSID801015733
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3S,8S,9S,10R,13R,14S,17R)-17-((E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol
    • RefChem:6262
    • DTXCID601473919
    • (3S,6R,8S,9S,10R,13R,14S)-17-((2R,5R)-5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,6-diol
    • 201-482-7
    • MFCD00003630
    • .beta.-Stigmasterol
    • Stigmasta-5,22-dien-3-beta-ol
    • (22E)-stigmasta-5,22-dien-3beta-ol
    • Stigmasta-5,22E-dien-3beta-ol
    • Stigmasta-5,22-dien-3-ol, (3b,22E)-
    • NSC 8095
    • (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • .delta.5,22-Stigmastadien-3.beta.-ol
    • (3.beta.,22E)-Stigmasta-5,22-dien-3-ol
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol
    • Delta5-Stigmasterol
    • stigamasterol
    • UNII-99WUK5D0Y8
    • Serposterol
    • b-stigmasterol
    • Stigmasta-5,22-dien-3.beta.-ol
    • CCRIS 7476
    • D5-Stigmasterol
    • HSDB 7683
    • EINECS 201-482-7
    • STIMASTEROL
    • 3beta-Hydroxy-24-ethyl-5,22-cholestadiene
    • Stigmasterol, ~95%
    • STIGMASTEROL [MI]
    • STIGMASTEROL [HSDB]
    • Wulzen anti-stiffness factor
    • SCHEMBL23999
    • .DELTA.5-STIGMASTEROL
    • STIGMASTEROL [WHO-DD]
    • stigmasta-5,22t-dien-3b-ol
    • CHEMBL400247
    • orb1304792
    • stigmasta-5,22-dien-3-b-ol
    • MSK7509
    • GLXC-13540
    • Delta5,22-Stigmastadien-3beta-ol
    • HY-N0131
    • (24S)-5,22-stigmastadien-3b-ol
    • BDBM50376364
    • HB4095
    • LMST01040123
    • s2361
    • SBB012602
    • STL570256
    • 24aFH-stigmasta-5,22t-dien-3b-ol
    • AKOS022168193
    • CS-7746
    • FS12894
    • (24S)-Stigmast-5,22-dien-3beta-ol
    • (24xH)-stigmasta-5,22t-dien-3b-ol
    • 24-Ethyl-5,22-cholestadien-3beta-ol
    • 5,22-Cholestadien-24-ethyl-3beta-ol
    • GUINEA-PIG-ANTI-STIFFNESS FACTOR
    • (24aFH)-stigmasta-5,22t-dien-3b-ol
    • (24x)-ethylcholesta-5,22-dien-3b-ol
    • NCGC00142599-03
    • (3b,22E)-stigmasta-5,22-dien-3-ol
    • 24x-24-ethylcholest-5,22-dien-3b-ol
    • AS-15473
    • BP-40651
    • ST069313
    • SY037152
    • 24-Ethyl-5,22-cholestadien-3.beta.-ol
    • 5,22-Cholestadien-24beta-ethyl-3beta-ol
    • rac-(24xH)-stigmasta-5,22t-dien-3b-ol
    • (24S)-24-Ethylcholesta-5,22-dien-3beta-ol
    • C05442
    • Q425004
    • STIGMASTEROL (CONSTITUENT OF PYGEUM) [DSC]
    • BRD-K41422683-001-02-2
    • STIGMASTEROL (CONSTITUENT OF SAW PALMETTO) [DSC]
    • 3.BETA.-HYDROXY-24-ETHYL-.DELTA.(SUP 5,22)-CHOLESTADIENE
    • Stigmasterol, certified reference material, 10 mg/mL in chloroform
    • 17-(4-ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 83-48-7

  • Applications

    Stigmasterol (CAS 83-48-7) is a plant sterol primarily used as a chemical intermediate for pharmaceutical steroid synthesis, providing a feedstock for hormone and steroid compounds; in cosmetics and personal care, stigmasterol is used as an emollient and texture-enhancing ingredient; it is often considered as a component of plant sterol esters in functional foods or dietary supplements and in functional food applications to support cholesterol management; in industrial manufacturing, stigmasterol can serve as a precursor for the synthesis of steroidal compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.82
    methanol 2.4
    isopropanol 10.63
    water 0.03
    ethyl acetate 24.86
    n-propanol 16.83
    acetone 18.17
    n-butanol 25.53
    acetonitrile 2.14
    DMF 10.21
    toluene 64.51
    isobutanol 14.52
    1,4-dioxane 52.87
    methyl acetate 10.4
    THF 89.69
    2-butanone 24.68
    n-pentanol 16.2
    sec-butanol 8.8
    n-hexane 4.0
    ethylene glycol 0.3
    NMP 22.7
    cyclohexane 8.42
    DMSO 5.77
    n-butyl acetate 37.18
    n-octanol 13.79
    chloroform 63.8
    n-propyl acetate 19.59
    acetic acid 4.75
    dichloromethane 35.92
    cyclohexanone 50.87
    propylene glycol 0.83
    isopropyl acetate 33.97
    DMAc 26.92
    2-ethoxyethanol 18.03
    isopentanol 27.29
    n-heptane 5.94
    ethyl formate 5.63
    1,2-dichloroethane 25.4
    n-hexanol 26.68
    2-methoxyethanol 16.25
    isobutyl acetate 24.79
    tetrachloromethane 13.6
    n-pentyl acetate 39.94
    transcutol 149.34
    n-heptanol 21.79
    ethylbenzene 23.6
    MIBK 36.75
    2-propoxyethanol 52.39
    tert-butanol 10.77
    MTBE 27.75
    2-butoxyethanol 43.1
    propionic acid 5.02
    o-xylene 30.31
    formic acid 1.01
    diethyl ether 44.01
    m-xylene 43.46
    p-xylene 23.5
    chlorobenzene 34.12
    dimethyl carbonate 7.58
    n-octane 1.61
    formamide 1.55
    cyclopentanone 41.67
    2-pentanone 34.99
    anisole 40.01
    cyclopentyl methyl ether 52.72
    gamma-butyrolactone 25.61
    1-methoxy-2-propanol 22.73
    pyridine 43.54
    3-pentanone 27.78
    furfural 21.69
    n-dodecane 0.91
    diethylene glycol 12.04
    diisopropyl ether 19.48
    tert-amyl alcohol 8.67
    acetylacetone 34.29
    n-hexadecane 1.13
    acetophenone 30.06
    methyl propionate 19.23
    isopentyl acetate 51.46
    trichloroethylene 49.56
    n-nonanol 17.97
    cyclohexanol 18.72
    benzyl alcohol 19.17
    2-ethylhexanol 24.05
    isooctanol 21.78
    dipropyl ether 43.33
    1,2-dichlorobenzene 30.82
    ethyl lactate 8.62
    propylene carbonate 15.98
    n-methylformamide 3.12
    2-pentanol 15.86
    n-pentane 5.45
    1-propoxy-2-propanol 46.85
    1-methoxy-2-propyl acetate 62.86
    2-(2-methoxypropoxy) propanol 42.03
    mesitylene 25.84
    ε-caprolactone 44.24
    p-cymene 21.59
    epichlorohydrin 39.81
    1,1,1-trichloroethane 28.74
    2-aminoethanol 1.72
    morpholine-4-carbaldehyde 34.81
    sulfolane 23.96
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 48.68
    n-hexyl acetate 39.77
    isooctane 3.35
    2-(2-butoxyethoxy)ethanol 58.81
    sec-butyl acetate 23.45
    tert-butyl acetate 44.28
    decalin 4.94
    glycerin 1.89
    diglyme 98.34
    acrylic acid 3.13
    isopropyl myristate 19.03
    n-butyric acid 19.61
    acetyl acetate 18.63
    di(2-ethylhexyl) phthalate 20.43
    ethyl propionate 20.57
    nitromethane 6.35
    1,2-diethoxyethane 58.33
    benzonitrile 15.36
    trioctyl phosphate 13.59
    1-bromopropane 27.76
    gamma-valerolactone 63.62
    n-decanol 12.05
    triethyl phosphate 19.54
    4-methyl-2-pentanol 17.36
    propionitrile 7.01
    vinylene carbonate 15.47
    1,1,2-trichlorotrifluoroethane 18.64
    DMS 20.0
    cumene 16.91
    2-octanol 12.27
    2-hexanone 23.98
    octyl acetate 20.87
    limonene 25.09
    1,2-dimethoxyethane 39.06
    ethyl orthosilicate 25.22
    tributyl phosphate 13.49
    diacetone alcohol 30.1
    N,N-dimethylaniline 29.89
    acrylonitrile 5.07
    aniline 31.61
    1,3-propanediol 7.48
    bromobenzene 44.88
    dibromomethane 31.64
    1,1,2,2-tetrachloroethane 41.43
    2-methyl-cyclohexyl acetate 37.35
    tetrabutyl urea 20.28
    diisobutyl methanol 18.42
    2-phenylethanol 35.54
    styrene 23.84
    dioctyl adipate 26.64
    dimethyl sulfate 9.94
    ethyl butyrate 34.2
    methyl lactate 7.0
    butyl lactate 25.53
    diethyl carbonate 20.02
    propanediol butyl ether 20.12
    triethyl orthoformate 38.78
    p-tert-butyltoluene 21.0
    methyl 4-tert-butylbenzoate 45.41
    morpholine 50.58
    tert-butylamine 9.86
    n-dodecanol 7.97
    dimethoxymethane 32.17
    ethylene carbonate 15.44
    cyrene 27.79
    2-ethoxyethyl acetate 56.81
    2-ethylhexyl acetate 45.3
    1,2,4-trichlorobenzene 38.77
    4-methylpyridine 44.6
    dibutyl ether 22.39
    2,6-dimethyl-4-heptanol 18.42
    DEF 26.77
    dimethyl isosorbide 68.01
    tetrachloroethylene 29.7
    eugenol 40.72
    triacetin 38.38
    span 80 33.45
    1,4-butanediol 2.4
    1,1-dichloroethane 23.25
    2-methyl-1-pentanol 19.04
    methyl formate 2.35
    2-methyl-1-butanol 20.84
    n-decane 2.34
    butyronitrile 12.18
    3,7-dimethyl-1-octanol 18.71
    1-chlorooctane 10.37
    1-chlorotetradecane 3.29
    n-nonane 1.91
    undecane 1.37
    tert-butylcyclohexane 4.26
    cyclooctane 3.94
    cyclopentanol 10.99
    tetrahydropyran 69.08
    tert-amyl methyl ether 20.53
    2,5,8-trioxanonane 61.22
    1-hexene 11.52
    2-isopropoxyethanol 19.81
    2,2,2-trifluoroethanol 2.35
    methyl butyrate 20.17

    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