delta1-Dehydrotestololactone
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Identifiers
Molecular formula
C19H24O3SMILES
CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C
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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
3.0pKa est.
7.32 (neutral)Molecular weight
300.4 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
542°CFlash point
- 214.66 ˚C est.
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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.)]-
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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
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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
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
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No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
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No restriction |
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Category 2
Products applied to the axillae
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No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
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No restriction |
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Category 3
Products applied to the face/body using fingertips
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No restriction |
Category 8
Products with significant anogenital exposure
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No restriction |
|
Category 4
Products related to fine fragrance
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
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No restriction |
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
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No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
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Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
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No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
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No restriction |
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Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
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No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
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No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
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No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
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No restriction |
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Category 6
Products with oral and lip exposure
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |