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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2,2,5-trimethyl-5-pentylcyclopentan-1-one |
| InChI : | InChI=1/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3 |
| InChIKey : | PUKWIVZFEZFVAT-UHFFFAOYAP |
| SMILES : | CCCCCC1(CCC(C1=O)(C)C)C |
| (EINECS) number : | 265-779-3 |
| cas number : | 65443-14-3 |
| molar refractivity : | 60.34 ± 0.3 cm3 |
| parachor : | 518.9 ± 6.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 26.2 ± 3.0 dyne/cm |
| density : | 0.856 ± 0.06 g/cm3 |
| polarizability : | 23.92 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 196.3290600 |
| formula : | C13 H24 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity peach apricot jasmin lactone |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 - 0.87200 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.206 to 7.264
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| refractive index : | 1.44200 - 1.44600 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.39 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 194.00 °F. TCC ( 90.00 °C. )
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| recommendation for fruity cyclopentanone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for fruity cyclopentanone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 265-779-3 |
| chemidplus : | 065443143 |
| epa-srs : | 65443-14-3 |
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| other : | |
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| references : | |
| pubchem : | 680865 |
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