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| IUPAC name : | (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI : | InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey : | KRVXMNNRSSQZJP-PHFHYRSDBF |
| SMILES : | C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C |
| cas number : | 1153-51-1 |
| (EINECS) number : | 214-573-1 |
| molar refractivity : | 82.96 ± 0.3 cm3 |
| parachor : | 669.8 ± 4.0 cm3 |
| index of refraction : | 1.540 ± 0.02 |
| surface tension : | 41.1 ± 3.0 dyne/cm |
| density : | 1.037 ± 0.06 g/cm3 |
| polarizability : | 32.89 ± 0.5 10-24cm3 |
| XlogP : | 5.20 |
| XlogP3-AA : | 5.30 |
| molecular weight : | 274.4409000 (IUPAC) |
| formula : | C19 H30 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 5a-androst-16-en-3a-ol
orders in chinese. |
| SAFC Global® : | 5alpha-Androst-16-en-3alpha-ol
≥98% |
organoleptics :
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| odor type : | musk |
| odor strength : | medium |
odor description: at 100.00 %. | animal musk natural |
properties :
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| appearence : | white powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 141.00 to 143.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.90 |
safety :
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| Oral Toxicity(LD50) : | | | |
Not determined
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| Dermal Toxicity(LD50) : | | | |
Not determined
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| Inhalation Toxicity(LC50) : | | | |
Not determined
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safety in use :
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| Category : | fragrance agents |
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| recommendation for (3alpha,5alpha)-androst-16-en-3-ol fragrance usage levels up to : | | | 1.0000 % in the fragrance concentrate.
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| recommendation for (3alpha,5alpha)-androst-16-en-3-ol flavor usage levels up to : | | | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | | |
| | (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| (EINECS) number : | 214-573-1 |
| chemidplus : | 001153511 |
| EPA Substance Registry Services : | 1153-51-1 |
| dtp/nci : | 71076 |
references :
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| | (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| pubchem : | 679431 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 5alpha- | androst-16-en-3,alpha-ol | | alpha-delta-16- | androsten-3-ol | | (3R,5S,8R,9S,10S,13S,14S)-10,13- | dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol | | (3R,5S,8R,9S,10S,13R,14S)-10,13- | dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | | 3alpha- | hydroxyandrost-16-ene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
potential blenders : note
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| | amber furan | FR |
| | ambergris naphthol | FL/FR |
| | ambrinol | FR |
| alpha- | ambrinol | FL/FR |
| | amyl phenyl acetate | FL/FR |
| iso | amyl phenyl acetate | FL/FR |
| | animal carbolactone | FR |
| iso | butyl quinoline | FR |
| iso | butyl quinoline | FR |
| | castoreum absolute | FL/FR |
| | civet absolute | FL/FR |
| | civet decenone | FL/FR |
| | costus valerolactone | FR |
| para- | cresyl acetate | FL/FR |
| para- | cresyl caprylate | FL/FR |
| para- | cresyl isobutyrate | FL/FR |
| para- | cresyl isovalerate | FL/FR |
| para- | cresyl phenyl acetate | FL/FR |
| 2,6- | dimethoxy-4-vinyl phenol | FL |
| | ethyl 3-(furfuryl thio) propionate | FL |
| | ethylene dodecanoate | FR |
| | guaiyl butyrate | FR |
| | indolall | FR |
| | indole | FL/FR |
| | indoletal | FR |
| | juniper lactone | FL/FR |
| delta- | juniper lactone | FL/FR |
| | linalyl hexanoate | FL/FR |
| | marine pyridine | FR |
| 4- | methyl cyclohexanone | FL |
| para- | methyl tetrahydroquinoline | FL/FR |
| 3- | methyl valeric acid | FL |
| delta- | muscenone | FR |
| | muscogene | FR |
| dextro,laevo- | muscone | FL/FR |
| nor | muscone | FR |
| | musk dimethyl indane | FL/FR |
| | musk lactone | FR |
| | musk nonane | FR |
| | musk pentane | FR |
| (Z)- | oleyl alcohol | CS |
| | opoponax oil | FL/FR |
| | opoponax resinoid | FR |
| omega- | pentadecalactone | FL/FR |
| | petitgrain heptane | FR |
| | piperidine | FL/FR |
| | piperine | FL/FR |
| | propyl valerate | FL/FR |
| | pyrrolidine | FL |
| | skatole | FL/FR |
| | spikenard oil | FL/FR |
| 1-oxa | spiro-4,7-dodecane | FR |
| 2,5,9- | trimethyl-4,9-decadien-1-al | FR |
| | valerian root oil | FL/FR |
| | valerian root oil china | FL/FR |
| | valerian root oil CO2 extract china | FL/FR |
potential uses :
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| | amber | | | animal | | | musk |
natural occurrence in : note
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| | swine testes
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