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| IUPAC name : | (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanol |
| InChI : | InChI=1/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3 |
| InChIKey : | GQRUHVMVWNKUFW-UHFFFAOYAR |
| SMILES : | CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C) |
| cas number : | 666-84-2 |
| (EINECS) number : | 211-564-4 |
| beilstein number : | 2129532 |
| molar refractivity : | 89.37 ± 0.4 cm3 |
| parachor : | 713.9 ± 6.0 cm3 |
| index of refraction : | 1.533 ± 0.03 |
| surface tension : | 37.9 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 35.42 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| XlogP3-AA : | 4.90 |
| molecular weight : | 288.4674800 (IUPAC) |
| formula : | C20 H32 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | ABIETYL ALCOHOL
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organoleptics :
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properties :
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| appearence : | pale yellow powder |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 398.00 to 400.00 °C. @ 760.00 mm Hg
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| flash point : | 287.00 °F. TCC ( 141.67 °C. )
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| logP (o/w) : | 6.50 |
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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| recommendation for abietyl alcohol usage levels up to : | | | not for fragrance use.
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| recommendation for abietyl alcohol usage levels up to : | | | not for flavor use.
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safety references :
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| EPI System : | view |
| Toxicology Citations : | Search |
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| | (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanol
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| (EINECS) number : | 211-564-4 |
| chemidplus : | 000666842 |
| EPA Substance Registry Services : | 666-84-2 |
references :
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| | (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanol
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| NIST Chemistry WebBook : | 666842 |
| pubchem : | 679929 |
Cosmetics :
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| Cosmetic uses : |
viscosity controlling agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| | abieta-7,13-dien-18-ol | | | abietinol | | | abietol | | (1R-(1a,4aa,4ba,10aa))-1,2,3,4,4a,4b,5,6,10,10a- | decahydro-7-isopropyl-1,4a-dimethyl phenanthren-1-methanol | | (1,4a- | dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanol |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) used in :
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| | viscosity controlling agents |
natural occurrence in :
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| found in nature |
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