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| InChI : | InChI=1/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3 |
| InChIKey : | CHPQWDBBFXQHQC-UHFFFAOYAT |
| SMILES : | CC1CCC2C13CC(C2(C)C)C(C(=O)C3)C |
| (EINECS) number : | 237-450-4 |
| cas number : | 13794-73-5 |
| molar refractivity : | 65.41 ± 0.4 cm3 |
| parachor : | 531.9 ± 6.0 cm3 |
| index of refraction : | 1.506 ± 0.03 |
| surface tension : | 34.1 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 25.93 ± 0.5 10-24cm3 |
| xlogp : | 4.90 |
| molecular weight : | 220.3504600 |
| formula : | C15 H24 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description :
at 100.00 %. | woody |
| properties : | |
| appearence : | yellow clear oily liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00400 @ 25.00 °C.
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| boiling point : | 291.00 - 292.00 °C. @ 760.00 mm Hg
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| logp : | 4.90 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for cedralone usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| recommendation for cedralone usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 237-450-4 |
| chemidplus : | 013794735 |
| epa-srs : | 13794-73-5 |
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| other : | |
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| references : | |
| pubchem : | 691461 |
| NIST Chemistry WebBook : | 2100585262 |
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| synonyms : |
| | cedralone | | (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))- | hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one | | | hexahydro-3,6,8,8-tetramethyl-3R-(3d,3ab,6#,7b,1H-3a,7-methanozulen-5-(4H)-one | | | hexahydrotetramethyl methanoazulen-5-one |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | woody |
| natural occurrence in : |
| not found in nature |
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