Pregnenolone

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  • Identifiers

    CAS number
    145-13-1

    Molecular formula
    C21H32O2

    SMILES
    CC(=O)[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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 82.98%
    Amber 50.34%
    Sandalwood 45.03%
    Sweet 44.51%
    Cedar 44.44%
    Musk 42.69%
    Balsamic 42.63%
    Dry 42.3%
    Floral 37.15%
    Powdery 34.43%

     

    Flavor
    Fruity 42.2%
    Sweet 36.92%
    Herbal 34.74%
    Minty 34.51%
    Woody 33.36%
    Herb 32.85%
    Fruit 31.21%
    Spicy 30.88%
    Earthy 29.28%
    Mint 28.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.48 (neutral)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    378°C

    Melting point expt.

    • 192 °C

    Flash point

    • 209.79 ˚C est.

    Solubility expt.

    • 0.00706 mg/mL at 37 °C

  • Synonyms

    • pregnenolone
    • 145-13-1
    • 3beta-Hydroxypregn-5-en-20-one
    • Arthenolone
    • Regnosone
    • Skinostelon
    • Enelone
    • Natolone
    • Bina-Skin
    • 5-Pregnen-3beta-ol-20-one
    • delta5-Pregnenolone
    • 5-Pregnen-3-beta-ol-20-one
    • Pregnenolona
    • Pregnenolonum
    • 3-beta-Hydroxypregn-5-en-20-one
    • DTXSID1036541
    • Pregn-5-en-20-one, 3-hydroxy-, (3beta)-
    • 73R90F7MQ8
    • 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    • DTXCID9016541
    • CHEBI:16581
    • NSC1616
    • 5 Pregnen 3 beta ol 20 one
    • 1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanone
    • RefChem:868471
    • 205-647-4
    • Prenolon
    • Pregnetan
    • Pregneton
    • Pregnolon
    • (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE
    • 5-Pregnenolone
    • NSC 1616
    • MFCD00003628
    • Prestwick_859
    • Prestwick3_000546
    • Pregnenolone (JAN/INN)
    • Pregn-5-en-20-one, 3beta-hydroxy-
    • 3beta-Hydroxy-5-pregnen-20-one
    • Pregn-5-ene-3beta-ol-20-one
    • 3.beta.-Hydroxypregn-5-en-20-one
    • Pregnenolone (3beta-Hydroxypregn-5-en-20-one)
    • 1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
    • 5-Pregnen-3beta;-ol-20-one
    • Pregnenolone [INN:BAN]
    • Pregnenolonum [INN-Latin]
    • Pregnenolona [INN-Spanish]
    • 1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-hydroxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    • PLO
    • SMR000112161
    • .DELTA.5-Pregnenolone
    • SR-05000002128
    • EINECS 205-647-4
    • 5-Pregnen-3.beta.-ol-20-one
    • Pregnolone
    • NSC-1616
    • UNII-73R90F7MQ8
    • NSC-18158
    • s1914
    • Pregn-5-en-20-one, 3-hydroxy-, (3b)-
    • delta5-Pregnen-3beta-ol-20-one
    • Pregn-5-en-20-one, 3-hydroxy-, (3-beta)-
    • NCGC00163125-02
    • Pregn-5-en-20-one, 3.beta.-hydroxy-
    • CAS-145-13-1
    • Pregn-5-en-20-one, 3-beta-hydroxy-
    • Pregnenolone (Standard)
    • Prestwick0_000546
    • Prestwick1_000546
    • Prestwick2_000546
    • Spectrum5_002057
    • PREGNENOLONE [MI]
    • PREGNENOLONE [INN]
    • PREGNENOLONE [JAN]
    • bmse000476
    • 5-Pregnen-3b-ol-20-one
    • PREGNENOLONE [VANDF]
    • BIDD:PXR0019
    • BSPBio_000591
    • MLS002153868
    • MLS002207138
    • Pregn-5-en-3b-ol-20-one
    • PREGNENOLONE [WHO-DD]
    • SCHEMBL129572
    • Pregn-5-ene-3b-ol-20-one
    • SPBio_002512
    • 3-Hydroxy-5-pregnen-20-one
    • 3b-Hydroxypregn-5-en-20-one
    • BPBio1_000651
    • CHEMBL253363
    • GTPL2376
    • orb1310235
    • Pregn-5-en-3beta-ol-20-one
    • HY-B0151R
    • MSK8520
    • 3beta-Hydroxy-5-pregenen-20-one
    • 3beta-Hydroxy-5-pregnene-20-one
    • 3beta-hydroxypregn-5-ene-20-one
    • HMS1569N13
    • HMS2090J15
    • HMS2096N13
    • HMS2268A04
    • HMS3713N13
    • HMS3884G16
    • Delta5-Pregenen-3beta-ol-20-one
    • Delta5-Pregnene-3beta-ol-20-one
    • BB_NC-00126
    • HY-B0151
    • Tox21_112011
    • Tox21_302141
    • BDBM50375319
    • CMC_13393
    • EBC-26770
    • LMST02030088
    • Pregnenolone (progesterone precursor)
    • 3beta-Hydroxy-delta5-pregnen-20-one
    • AKOS015841076
    • AKOS015895418
    • Tox21_112011_1
    • (3b)-3-hydroxy-Pregn-5-en-20-one
    • CCG-220546
    • CS-1970
    • DB02789
    • DS-7794
    • FP27154
    • (3?)-3-Hydroxy-pregn-5-en-20-one
    • Pregnenolone 0.1 mg/ml in Acetonitrile
    • 145-13-1

  • Applications

    Pregnenolone (CAS 145-13-1) is primarily used as an intermediate and precursor in the pharmaceutical synthesis of steroid hormones, notably corticosteroids and progestins. It also serves as a starting material for the synthesis of neurosteroids and related steroid products in research and development. In chemical manufacturing, it can function as a precursor for complex steroid synthesis and related pharmaceutical intermediates. Occasionally, subject to local regulations and formulation limits, it is evaluated for potential cosmetic/personal care applications as a bioactive precursor.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.24
    methanol 81.62
    isopropanol 77.87
    water 0.52
    ethyl acetate 84.54
    n-propanol 93.53
    acetone 147.86
    n-butanol 96.72
    acetonitrile 80.18
    DMF 149.34
    toluene 225.03
    isobutanol 54.56
    1,4-dioxane 277.52
    methyl acetate 52.56
    THF 461.28
    2-butanone 79.7
    n-pentanol 24.74
    sec-butanol 19.52
    n-hexane 1.45
    ethylene glycol 9.54
    NMP 43.92
    cyclohexane 12.58
    DMSO 57.32
    n-butyl acetate 55.23
    n-octanol 13.44
    chloroform 266.34
    n-propyl acetate 36.66
    acetic acid 35.4
    dichloromethane 160.76
    cyclohexanone 141.81
    propylene glycol 10.81
    isopropyl acetate 83.38
    DMAc 75.94
    2-ethoxyethanol 56.27
    isopentanol 64.57
    n-heptane 1.99
    ethyl formate 35.36
    1,2-dichloroethane 99.61
    n-hexanol 45.79
    2-methoxyethanol 153.31
    isobutyl acetate 36.68
    tetrachloromethane 29.53
    n-pentyl acetate 38.96
    transcutol 283.4
    n-heptanol 25.11
    ethylbenzene 33.12
    MIBK 74.98
    2-propoxyethanol 139.66
    tert-butanol 57.19
    MTBE 36.17
    2-butoxyethanol 70.42
    propionic acid 26.57
    o-xylene 60.46
    formic acid 16.65
    diethyl ether 94.89
    m-xylene 104.22
    p-xylene 39.57
    chlorobenzene 100.75
    dimethyl carbonate 44.27
    n-octane 0.86
    formamide 35.07
    cyclopentanone 159.28
    2-pentanone 98.51
    anisole 73.43
    cyclopentyl methyl ether 113.43
    gamma-butyrolactone 122.13
    1-methoxy-2-propanol 143.08
    pyridine 203.19
    3-pentanone 63.07
    furfural 109.5
    n-dodecane 0.8
    diethylene glycol 96.44
    diisopropyl ether 23.14
    tert-amyl alcohol 14.58
    acetylacetone 131.38
    n-hexadecane 1.0
    acetophenone 55.98
    methyl propionate 65.17
    isopentyl acetate 61.51
    trichloroethylene 176.62
    n-nonanol 15.71
    cyclohexanol 52.68
    benzyl alcohol 54.42
    2-ethylhexanol 22.66
    isooctanol 21.84
    dipropyl ether 32.32
    1,2-dichlorobenzene 71.87
    ethyl lactate 25.72
    propylene carbonate 56.12
    n-methylformamide 63.65
    2-pentanol 32.92
    n-pentane 3.75
    1-propoxy-2-propanol 86.57
    1-methoxy-2-propyl acetate 113.35
    2-(2-methoxypropoxy) propanol 56.9
    mesitylene 45.57
    ε-caprolactone 87.54
    p-cymene 20.49
    epichlorohydrin 171.23
    1,1,1-trichloroethane 81.04
    2-aminoethanol 30.02
    morpholine-4-carbaldehyde 121.28
    sulfolane 74.02
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 96.96
    n-hexyl acetate 39.29
    isooctane 2.17
    2-(2-butoxyethoxy)ethanol 84.92
    sec-butyl acetate 33.58
    tert-butyl acetate 75.03
    decalin 3.46
    glycerin 27.32
    diglyme 167.23
    acrylic acid 23.5
    isopropyl myristate 19.53
    n-butyric acid 72.71
    acetyl acetate 69.0
    di(2-ethylhexyl) phthalate 24.54
    ethyl propionate 40.09
    nitromethane 79.12
    1,2-diethoxyethane 76.55
    benzonitrile 76.39
    trioctyl phosphate 17.0
    1-bromopropane 55.13
    gamma-valerolactone 224.79
    n-decanol 11.21
    triethyl phosphate 23.51
    4-methyl-2-pentanol 29.11
    propionitrile 95.19
    vinylene carbonate 70.1
    1,1,2-trichlorotrifluoroethane 75.1
    DMS 47.55
    cumene 19.7
    2-octanol 11.71
    2-hexanone 33.0
    octyl acetate 21.18
    limonene 20.59
    1,2-dimethoxyethane 116.14
    ethyl orthosilicate 24.51
    tributyl phosphate 17.98
    diacetone alcohol 69.01
    N,N-dimethylaniline 39.41
    acrylonitrile 98.33
    aniline 133.41
    1,3-propanediol 79.49
    bromobenzene 105.89
    dibromomethane 105.42
    1,1,2,2-tetrachloroethane 134.31
    2-methyl-cyclohexyl acetate 39.26
    tetrabutyl urea 24.35
    diisobutyl methanol 18.61
    2-phenylethanol 71.69
    styrene 40.62
    dioctyl adipate 28.02
    dimethyl sulfate 44.15
    ethyl butyrate 42.29
    methyl lactate 37.32
    butyl lactate 38.33
    diethyl carbonate 29.56
    propanediol butyl ether 44.4
    triethyl orthoformate 38.48
    p-tert-butyltoluene 19.9
    methyl 4-tert-butylbenzoate 55.02
    morpholine 245.65
    tert-butylamine 32.22
    n-dodecanol 8.07
    dimethoxymethane 228.36
    ethylene carbonate 67.09
    cyrene 53.3
    2-ethoxyethyl acetate 77.43
    2-ethylhexyl acetate 44.03
    1,2,4-trichlorobenzene 77.95
    4-methylpyridine 172.58
    dibutyl ether 17.4
    2,6-dimethyl-4-heptanol 18.61
    DEF 56.45
    dimethyl isosorbide 99.48
    tetrachloroethylene 86.15
    eugenol 60.76
    triacetin 55.22
    span 80 43.04
    1,4-butanediol 15.95
    1,1-dichloroethane 96.18
    2-methyl-1-pentanol 20.42
    methyl formate 40.47
    2-methyl-1-butanol 36.89
    n-decane 1.54
    butyronitrile 87.07
    3,7-dimethyl-1-octanol 18.46
    1-chlorooctane 7.95
    1-chlorotetradecane 3.12
    n-nonane 1.18
    undecane 1.08
    tert-butylcyclohexane 2.58
    cyclooctane 3.58
    cyclopentanol 42.24
    tetrahydropyran 217.51
    tert-amyl methyl ether 17.72
    2,5,8-trioxanonane 101.5
    1-hexene 7.29
    2-isopropoxyethanol 40.76
    2,2,2-trifluoroethanol 19.82
    methyl butyrate 41.68

    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