delta1-Dehydrotestololactone

  • Identifiers

    Molecular formula
    C19H24O3

    SMILES
    CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C

  • Odor profile

    Fragrance
    Woody 62.69%
    Fruity 61.11%
    Spicy 41.98%
    Coconut 33.16%
    Tobacco 33.13%
    Sweet 32.87%
    Green 32.08%
    Cedar 28.71%
    Coumarinic 27.62%
    Berry 26.68%

     

    Flavor
    Bitter 50.53%
    Minty 25.8%
    Lovage 21.0%
    Basil 20.59%
    Ripe apricot 20.47%
    Cedarleaf 20.13%
    Red fruit 20.05%
    Tonka 19.82%
    Fenugreek 19.64%
    Coumarin 19.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.32 (neutral)

    Molecular weight
    300.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    542°C

    Flash point

    • 214.66 ˚C est.

  • Synonyms

    • Teslak
    • .DELTA.1-Testololactone
    • .DELTA.1-Dehydrotestolactone
    • .DELTA.1-Dehydrotestololactone
    • NSC 12173
    • CHEMBL166839
    • DTXSID10859561
    • BPEWUONYVDABNZ-UHFFFAOYSA-N
    • 17a-Oxa-D-homoandrosta-1,4-diene-3,17-dione
    • 13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone
    • 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid .delta.-lactone
    • 10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione #
    • 10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-phenanthro[2,1-b]pyran-2,8(4bH)-dione
    • 2H-Phenanthro(2,1-b)pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, , [4aS-(4a.alpha.,4b.beta.,10a.beta.,10b.alpha.,12a.beta.)]-
  • Applications

    delta1-Dehydrotestololactone is primarily used as a chemical intermediate and chiral building block in steroid chemistry for pharmaceutical synthesis, serving in route development to access steroidal products; in chemical research and development settings it functions as a scaffold for exploring steroid lactone derivatives and structure-activity relationships; it is commonly supplied to contract manufacturers for scale-up of steroidal synthetic sequences; and it may be encountered as a research reagent in academic and industrial laboratories for method development and synthetic planning.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.55
    methanol 13.13
    isopropanol 9.27
    water 0.1
    ethyl acetate 39.1
    n-propanol 15.19
    acetone 36.86
    n-butanol 14.24
    acetonitrile 25.78
    DMF 71.62
    toluene 90.89
    isobutanol 9.93
    1,4-dioxane 93.22
    methyl acetate 31.08
    THF 129.14
    2-butanone 43.1
    n-pentanol 7.74
    sec-butanol 5.42
    n-hexane 0.37
    ethylene glycol 4.21
    NMP 59.03
    cyclohexane 3.05
    DMSO 53.55
    n-butyl acetate 26.0
    n-octanol 3.06
    chloroform 205.07
    n-propyl acetate 20.61
    acetic acid 21.26
    dichloromethane 144.93
    cyclohexanone 89.45
    propylene glycol 3.87
    isopropyl acetate 29.13
    DMAc 75.72
    2-ethoxyethanol 23.37
    isopentanol 12.66
    n-heptane 0.37
    ethyl formate 18.83
    1,2-dichloroethane 74.6
    n-hexanol 10.83
    2-methoxyethanol 44.56
    isobutyl acetate 17.9
    tetrachloromethane 12.06
    n-pentyl acetate 16.92
    transcutol 117.75
    n-heptanol 6.27
    ethylbenzene 16.69
    MIBK 26.06
    2-propoxyethanol 48.93
    tert-butanol 8.87
    MTBE 5.98
    2-butoxyethanol 25.11
    propionic acid 17.15
    o-xylene 29.51
    formic acid 11.08
    diethyl ether 15.7
    m-xylene 38.45
    p-xylene 20.86
    chlorobenzene 66.42
    dimethyl carbonate 29.77
    n-octane 0.2
    formamide 22.0
    cyclopentanone 95.45
    2-pentanone 36.51
    anisole 38.73
    cyclopentyl methyl ether 35.25
    gamma-butyrolactone 92.54
    1-methoxy-2-propanol 37.98
    pyridine 122.09
    3-pentanone 35.38
    furfural 94.5
    n-dodecane 0.26
    diethylene glycol 42.23
    diisopropyl ether 4.91
    tert-amyl alcohol 4.54
    acetylacetone 56.53
    n-hexadecane 0.34
    acetophenone 40.02
    methyl propionate 39.26
    isopentyl acetate 27.53
    trichloroethylene 181.06
    n-nonanol 4.1
    cyclohexanol 19.18
    benzyl alcohol 34.03
    2-ethylhexanol 7.22
    isooctanol 6.0
    dipropyl ether 8.36
    1,2-dichlorobenzene 53.09
    ethyl lactate 16.83
    propylene carbonate 44.27
    n-methylformamide 33.3
    2-pentanol 6.09
    n-pentane 0.6
    1-propoxy-2-propanol 28.5
    1-methoxy-2-propyl acetate 49.12
    2-(2-methoxypropoxy) propanol 33.06
    mesitylene 16.22
    ε-caprolactone 66.84
    p-cymene 9.31
    epichlorohydrin 120.89
    1,1,1-trichloroethane 47.88
    2-aminoethanol 9.21
    morpholine-4-carbaldehyde 97.52
    sulfolane 82.92
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 40.25
    n-hexyl acetate 17.04
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 41.68
    sec-butyl acetate 17.82
    tert-butyl acetate 25.71
    decalin 1.43
    glycerin 11.95
    diglyme 82.13
    acrylic acid 18.99
    isopropyl myristate 9.63
    n-butyric acid 30.79
    acetyl acetate 34.97
    di(2-ethylhexyl) phthalate 17.64
    ethyl propionate 23.43
    nitromethane 49.75
    1,2-diethoxyethane 28.95
    benzonitrile 52.99
    trioctyl phosphate 9.65
    1-bromopropane 26.79
    gamma-valerolactone 137.88
    n-decanol 3.2
    triethyl phosphate 17.01
    4-methyl-2-pentanol 6.0
    propionitrile 32.59
    vinylene carbonate 55.11
    1,1,2-trichlorotrifluoroethane 58.81
    DMS 34.08
    cumene 9.68
    2-octanol 2.82
    2-hexanone 19.62
    octyl acetate 11.29
    limonene 9.01
    1,2-dimethoxyethane 45.83
    ethyl orthosilicate 15.74
    tributyl phosphate 11.98
    diacetone alcohol 28.23
    N,N-dimethylaniline 21.73
    acrylonitrile 47.85
    aniline 71.82
    1,3-propanediol 19.34
    bromobenzene 71.82
    dibromomethane 79.52
    1,1,2,2-tetrachloroethane 120.55
    2-methyl-cyclohexyl acetate 24.94
    tetrabutyl urea 16.27
    diisobutyl methanol 5.69
    2-phenylethanol 36.07
    styrene 22.31
    dioctyl adipate 19.36
    dimethyl sulfate 40.62
    ethyl butyrate 21.53
    methyl lactate 23.21
    butyl lactate 18.16
    diethyl carbonate 19.16
    propanediol butyl ether 15.93
    triethyl orthoformate 19.98
    p-tert-butyltoluene 8.25
    methyl 4-tert-butylbenzoate 31.47
    morpholine 82.71
    tert-butylamine 4.61
    n-dodecanol 2.57
    dimethoxymethane 67.79
    ethylene carbonate 48.04
    cyrene 40.18
    2-ethoxyethyl acetate 40.23
    2-ethylhexyl acetate 22.09
    1,2,4-trichlorobenzene 64.69
    4-methylpyridine 109.99
    dibutyl ether 5.38
    2,6-dimethyl-4-heptanol 5.69
    DEF 34.1
    dimethyl isosorbide 63.3
    tetrachloroethylene 73.53
    eugenol 36.23
    triacetin 34.85
    span 80 22.95
    1,4-butanediol 6.31
    1,1-dichloroethane 55.31
    2-methyl-1-pentanol 7.74
    methyl formate 24.96
    2-methyl-1-butanol 8.83
    n-decane 0.4
    butyronitrile 24.87
    3,7-dimethyl-1-octanol 5.26
    1-chlorooctane 2.43
    1-chlorotetradecane 1.31
    n-nonane 0.29
    undecane 0.31
    tert-butylcyclohexane 0.9
    cyclooctane 0.83
    cyclopentanol 17.37
    tetrahydropyran 60.62
    tert-amyl methyl ether 5.34
    2,5,8-trioxanonane 62.43
    1-hexene 2.3
    2-isopropoxyethanol 18.27
    2,2,2-trifluoroethanol 12.73
    methyl butyrate 25.27

    Scent© AI

1 of 4
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