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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-methyl-2-pentylcyclopentan-1-one |
| InChI : | InChI=1/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3 |
| InChIKey : | ZISGOYMWXFOWAM-UHFFFAOYAQ |
| SMILES : | CCCCCC1C(CCC1=O)C |
| (EINECS) number : | 235-969-0 |
| cas number : | 13074-63-0 |
| molar refractivity : | 51.12 ± 0.3 cm3 |
| parachor : | 442.1 ± 6.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 27.9 ± 3.0 dyne/cm |
| density : | 0.875 ± 0.06 g/cm3 |
| polarizability : | 20.26 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 168.2759000 |
| formula : | C11 H20 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | coconut |
| odor strength : | medium |
odor description :
at 100.00 %. | coconut sweet jasmin |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 - 0.89000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.406
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| refractive index : | 1.40000 - 1.50000 @ 20.00 °C.
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| boiling point : | 85.00 °C. @ 5.00 mm Hg
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| boiling point : | 230.00 - 231.00 °C. @ 760.00 mm Hg
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| logp : | 3.31 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| 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 tetrahydrojasmone usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for tetrahydrojasmone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 235-969-0 |
| chemidplus : | 013074630 |
| epa-srs : | 13074-63-0 |
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| other : | |
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| references : | |
| pubchem : | 691342 |
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