Ergosterol

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  • Identifiers

    CAS number
    57-87-4

    Molecular formula
    C28H44O

    SMILES
    C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Woody 83.68%
    Sandalwood 54.13%
    Amber 40.4%
    Balsamic 39.29%
    Dry 35.93%
    Vetiver 34.38%
    Spicy 34.12%
    Cedar 32.57%
    Oily 31.64%
    Waxy 29.99%

     

    Flavor
    Woody 57.84%
    Wood 47.63%
    Herbal 45.12%
    Herb 42.35%
    Spice 37.34%
    Terpene 25.43%
    Waxy 24.61%
    Turpentine 24.32%
    Balsam 23.47%
    Citrus 23.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.44 (neutral)

    Molecular weight
    396.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 170 °C
    • MP: 168 °C. Complete removal from water is almost impossible and results in an amorphous mass, melting range 166-183 °C. ... Precipitated by digitonin. Affected by light and air, turns yellow. Oxygen forms peroxides and hydrogen may form polyhydro compounds.

    Boiling point

    • 250 °C at 0.01 mm Hg

    Flash point

    • 218.09 ˚C est.

    Solubility expt.

    • Slightly soluble in ethanol, ethyl ether, petroleum ether; soluble in benzene, chloroform
    • One gram dissolves in 660 mL alcohol, in 45 mL boiling alcohol, in 70 mL ether, in 39 mL boiling ether, in 31 mL chloroform.
    • 16 mg/mL

  • Synonyms

    • ERGOSTEROL
    • 57-87-4
    • Provitamin D2
    • Ergosterin
    • (22E)-ergosta-5,7,22-trien-3beta-ol
    • Ergosta-5,7,22E-trien-3beta-ol
    • Z30RAY509F
    • Ergosta-5,7,22-trien-3beta-ol
    • (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol
    • CHEBI:16933
    • DTXSID90878679
    • (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Provitamin D 2
    • Pro Vitamin D2
    • Pro-Vitamin D2
    • (3S,9S,10R,13R,14R,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
    • D2, Pro-Vitamin
    • RefChem:35975
    • DTXCID201016721
    • 200-352-7
    • Ergosta-5,7,22-trien-3-ol, (3b,22E)-
    • Ergocalciferol EP Impurity B
    • MFCD00003623
    • Ergosterol (Provitamin D2)
    • 24-Methylcholesta-5,7,22-trien-3beta-ol
    • (3S,9S,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (22E)-Ergosta-5,7,22-trien-3.beta.-ol
    • (3beta,22E)-Ergosta-5,7,22-trien-3-ol
    • 3beta-Hydroxy-5,7,22-ergostatriene
    • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 14-((2E)(1R,4R)-1,4,5-trimethylhex-2-enyl)(1S,5S,2R,11R,14R,15R)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-7,9-dien-5-ol
    • (3.beta.,22E)-Ergosta-5,7,22-trien-3-ol
    • Ergosta-5,7,22-trien-3-ol, (3.beta.,22E)-
    • ergosta-5,7,22-trien-3-ol
    • UNII-Z30RAY509F
    • NSC62791
    • CCRIS 7220
    • HSDB 395
    • Ergosterol CRS
    • Provitamine D2
    • ERG
    • EINECS 200-352-7
    • 24alpha-Methyl-22E-dehydrocholesterol
    • Lumisterol Impurity 2
    • Ergosterol, >=75%
    • ERGOSTEROL [MI]
    • AI3-18876
    • ERGOSTEROL [HSDB]
    • 24R-Methylcholesta-5,7,2E-trien-3beta-ol
    • bmse000494
    • Ergosta-5,7,22-trien-3-ol, (3beta,22E)-
    • ERGOSTEROL [USP-RS]
    • SCHEMBL43194
    • MEGxm0_000450
    • orb1304854
    • CHEMBL1232562
    • 5,7,22-Ergostatrien-3beta-ol
    • ACon0_000429
    • ACon1_000637
    • MSK1553
    • 24a-Methyl-22E-dehydrocholesterol
    • Ergosterol, >=95.0% (HPLC)
    • HY-N0181
    • BDBM50378884
    • EBC-26936
    • LMST01030093
    • s2297
    • 24alpha-Methyl-22E-dehydrocholestero
    • AKOS015918128
    • AC-8370
    • DB04038
    • DS-4956
    • FE30866
    • (24R)-Ergosta-5,7,22-trien-3b-ol
    • (3beta)-Ergosta-5,7,22-trien-3-ol
    • NCGC00168889-01
    • NCGC00168889-02
    • (1R,3aR,7S,9aR,9bS,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
    • 24-Methylcholesta-5,7,22-trien-3b-ol
    • BP-40655
    • ST073383
    • 24R-Methylcholesta-5,7,22E-trien-3b-ol
    • (3beta,2E)-Ergosta-5,7,22-trien-3-ol
    • CS-0007890
    • NS00008818
    • 24R-Methylcholesta-5,7,22E-trien-3beta-ol
    • C01694
    • ERGOCALCIFEROL IMPURITY B [EP IMPURITY]
    • (22E,24R)-Ergosta-5,7,22-trien-3|A-ol
    • 003E623
    • EN300-21680273
    • Q143263
    • BRD-K03039262-001-03-7
    • 45ED0A4C-6FDA-443F-B886-D6C805A76AF2
    • Ergosterol, 10 mg/mL in chloroform, analytical standard
    • (3beta,14beta,17alpha,22E)-ergosta-5,7,22-trien-3-ol
    • Ergosterol, European Pharmacopoeia (EP) Reference Standard
    • Ergosterol, United States Pharmacopeia (USP) Reference Standard
    • ERGOSTEROL (CONSTITUENT OF GANODERMA LUCIDUM FRUITING BODY) [DSC]
    • Ergosterol, Pharmaceutical Secondary Standard; Certified Reference Material
    • 57-87-4

  • Applications

    Ergosterol (CAS 57-87-4) is a fungal sterol primarily used as a precursor for the production of ergocalciferol (vitamin D2) for pharmaceutical use and dietary fortification. It is also employed as a starting material or intermediate in steroid and related bioactive syntheses in pharmaceutical R&D. In quality control and analytical work, it serves as a reference compound and a biomarker for fungal presence in foods, feed, and pharmaceutical products, enabling sterol profiling and contamination assessment. Additionally, it is used in research settings to study fungal membrane biology and as a standard for analytical methods quantifying sterols in biological samples. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.52
    methanol 2.05
    isopropanol 9.77
    water 0.02
    ethyl acetate 25.0
    n-propanol 13.97
    acetone 16.41
    n-butanol 21.96
    acetonitrile 1.83
    DMF 10.4
    toluene 67.42
    isobutanol 12.57
    1,4-dioxane 49.4
    methyl acetate 10.43
    THF 72.35
    2-butanone 24.09
    n-pentanol 14.3
    sec-butanol 8.27
    n-hexane 4.06
    ethylene glycol 0.28
    NMP 18.82
    cyclohexane 7.43
    DMSO 5.19
    n-butyl acetate 37.12
    n-octanol 13.18
    chloroform 66.08
    n-propyl acetate 19.52
    acetic acid 4.25
    dichloromethane 33.73
    cyclohexanone 45.46
    propylene glycol 0.84
    isopropyl acetate 34.5
    DMAc 28.53
    2-ethoxyethanol 16.09
    isopentanol 24.05
    n-heptane 5.44
    ethyl formate 4.84
    1,2-dichloroethane 23.49
    n-hexanol 26.2
    2-methoxyethanol 14.49
    isobutyl acetate 26.02
    tetrachloromethane 12.67
    n-pentyl acetate 39.86
    transcutol 146.9
    n-heptanol 20.09
    ethylbenzene 25.49
    MIBK 35.65
    2-propoxyethanol 48.83
    tert-butanol 10.25
    MTBE 28.4
    2-butoxyethanol 40.95
    propionic acid 4.56
    o-xylene 31.85
    formic acid 0.86
    diethyl ether 41.58
    m-xylene 44.93
    p-xylene 25.11
    chlorobenzene 31.98
    dimethyl carbonate 7.76
    n-octane 1.61
    formamide 1.37
    cyclopentanone 35.7
    2-pentanone 33.33
    anisole 41.79
    cyclopentyl methyl ether 46.22
    gamma-butyrolactone 21.35
    1-methoxy-2-propanol 21.29
    pyridine 39.73
    3-pentanone 28.08
    furfural 19.37
    n-dodecane 0.91
    diethylene glycol 11.27
    diisopropyl ether 19.35
    tert-amyl alcohol 9.08
    acetylacetone 33.63
    n-hexadecane 1.14
    acetophenone 30.95
    methyl propionate 18.81
    isopentyl acetate 51.88
    trichloroethylene 49.09
    n-nonanol 17.37
    cyclohexanol 16.77
    benzyl alcohol 18.73
    2-ethylhexanol 23.0
    isooctanol 20.87
    dipropyl ether 40.35
    1,2-dichlorobenzene 29.83
    ethyl lactate 8.6
    propylene carbonate 14.49
    n-methylformamide 2.75
    2-pentanol 15.16
    n-pentane 5.04
    1-propoxy-2-propanol 45.34
    1-methoxy-2-propyl acetate 62.71
    2-(2-methoxypropoxy) propanol 43.03
    mesitylene 26.63
    ε-caprolactone 40.16
    p-cymene 21.47
    epichlorohydrin 34.43
    1,1,1-trichloroethane 29.59
    2-aminoethanol 1.53
    morpholine-4-carbaldehyde 34.78
    sulfolane 19.77
    2,2,4-trimethylpentane 3.1
    2-methyltetrahydrofuran 38.59
    n-hexyl acetate 40.51
    isooctane 3.28
    2-(2-butoxyethoxy)ethanol 58.41
    sec-butyl acetate 24.28
    tert-butyl acetate 43.23
    decalin 4.84
    glycerin 1.82
    diglyme 98.0
    acrylic acid 2.88
    isopropyl myristate 19.68
    n-butyric acid 16.82
    acetyl acetate 18.29
    di(2-ethylhexyl) phthalate 20.49
    ethyl propionate 20.76
    nitromethane 5.61
    1,2-diethoxyethane 59.26
    benzonitrile 14.62
    trioctyl phosphate 13.51
    1-bromopropane 25.86
    gamma-valerolactone 56.99
    n-decanol 11.7
    triethyl phosphate 19.81
    4-methyl-2-pentanol 17.53
    propionitrile 6.09
    vinylene carbonate 14.37
    1,1,2-trichlorotrifluoroethane 17.91
    DMS 22.08
    cumene 18.05
    2-octanol 12.13
    2-hexanone 24.55
    octyl acetate 21.25
    limonene 23.43
    1,2-dimethoxyethane 37.52
    ethyl orthosilicate 25.0
    tributyl phosphate 13.48
    diacetone alcohol 28.93
    N,N-dimethylaniline 31.72
    acrylonitrile 4.63
    aniline 30.7
    1,3-propanediol 6.35
    bromobenzene 42.41
    dibromomethane 29.58
    1,1,2,2-tetrachloroethane 43.23
    2-methyl-cyclohexyl acetate 36.67
    tetrabutyl urea 19.91
    diisobutyl methanol 18.19
    2-phenylethanol 35.14
    styrene 25.28
    dioctyl adipate 26.74
    dimethyl sulfate 9.56
    ethyl butyrate 33.16
    methyl lactate 6.77
    butyl lactate 25.45
    diethyl carbonate 19.74
    propanediol butyl ether 19.71
    triethyl orthoformate 37.63
    p-tert-butyltoluene 20.55
    methyl 4-tert-butylbenzoate 45.4
    morpholine 45.49
    tert-butylamine 9.4
    n-dodecanol 7.95
    dimethoxymethane 29.74
    ethylene carbonate 14.12
    cyrene 26.62
    2-ethoxyethyl acetate 57.13
    2-ethylhexyl acetate 45.75
    1,2,4-trichlorobenzene 37.92
    4-methylpyridine 44.08
    dibutyl ether 22.37
    2,6-dimethyl-4-heptanol 18.19
    DEF 25.79
    dimethyl isosorbide 67.74
    tetrachloroethylene 29.48
    eugenol 41.12
    triacetin 39.1
    span 80 33.84
    1,4-butanediol 2.15
    1,1-dichloroethane 23.3
    2-methyl-1-pentanol 17.85
    methyl formate 2.06
    2-methyl-1-butanol 19.38
    n-decane 2.35
    butyronitrile 10.27
    3,7-dimethyl-1-octanol 18.76
    1-chlorooctane 10.27
    1-chlorotetradecane 3.34
    n-nonane 1.92
    undecane 1.38
    tert-butylcyclohexane 4.47
    cyclooctane 3.77
    cyclopentanol 9.04
    tetrahydropyran 59.29
    tert-amyl methyl ether 21.89
    2,5,8-trioxanonane 62.36
    1-hexene 11.73
    2-isopropoxyethanol 19.06
    2,2,2-trifluoroethanol 2.16
    methyl butyrate 20.13

    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