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| IUPAC name : | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| InChI : | InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1 |
| InChIKey : | JLPUXFOGCDVKGO-TUAOUCFPBW |
| SMILES : | C[C@H]1CCC[C@@]2([C@@]1(CCCC2)O)C |
| (EINECS) number : | 243-239-8 |
| cas number : | 19700-21-1 |
| coe number : | 10216 |
| fl. number : | 02.237 |
| molar refractivity : | 54.97 ± 0.3 cm3 |
| parachor : | 460.7 ± 4.0 cm3 |
| index of refraction : | 1.506 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 0.985 ± 0.06 g/cm3 |
| polarizability : | 21.79 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 182.3024800 |
| formula : | C12 H22 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | earthy |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | fresh musty earthy soil |
properties :
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| appearence : | yellow clear liquid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 270.00 to 271.00 °C. @ 760.00 mm Hg
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| logp : | 3.57 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 219.00 °F. TCC ( 103.89 °C. )
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| recommendation for geosmin usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
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| (EINECS) number : | 243-239-8 |
| chemidplus : | 019700211 |
| EPA Substance Registry Services : | 19700-21-1 |
| NLM Chemical Carcinogenesis Research Information System : | 19700-21-1 |
| NLM Developmental and Reproductive Toxicity : | 19700-21-1 |
| NLM Env. Mutagen Info. Center : | 19700-21-1 |
| NLM GENetic TOXicology : | 19700-21-1 |
references :
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| | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
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| fl. number : | 02.237 |
| pubchem : | 172013 |
| NIST Chemistry WebBook : | 3033818384 |
other :
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