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| IUPAC name : | methyl 3-oxo-2-pentylcyclopentaneacetate |
| InChI : | InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey : | KVWWIYGFBYDJQC-UHFFFAOYAM |
| SMILES : | O=C(OC)CC1C(C(=O)CC1)CCCCC |
| (EINECS) number : | 246-495-9 |
| cas number : | 24851-98-7 |
| fema number : | 3408 |
| coe number : | 10785 |
| fl. number : | 09.520 |
| molar refractivity : | 62.14 ± 0.3 cm3 |
| parachor : | 547.7 ± 6.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.948 ± 0.06 g/cm3 |
| polarizability : | 24.63 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 226.3119800 |
| formula : | C13 H22 O3 |
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| IUPAC name : | methyl 2-(3-oxo-2-pentylcyclopentyl)acetate |
| InChI : | InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey : | KVWWIYGFBYDJQC-UHFFFAOYAM |
| SMILES : | CCCCCC1C(CCC1=O)CC(=O)OC |
| (EINECS) number : | 220-112-5 |
| cas number : | 2630-39-9 |
| molar refractivity : | 62.14 ± 0.3 cm3 |
| parachor : | 547.7 ± 6.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 24.63 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 226.3119800 |
| formula : | C13 H22 O3 |
| BioActivity Analysis : | 26749863 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral oily jasmin green lactonic |
| taste description³ : | at 20.00 ppm.
Sweet, floral, citrus, fruity and berry with tutti-frutti undernotes |
| substantivity : | 72 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99800 - 1.00300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.304 to 8.346
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| refractive index : | 1.45000 - 1.46000 @ 20.00 °C.
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| boiling point : | 109.00 - 112.00 °C. @ 0.20 mm Hg
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| boiling point : | 100.00 °C. @ 0.03 mm Hg
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| acid value : | 0.28 max. KOH/g
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| logp : | 2.50 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
None - None |
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| Oral Toxicity(LD50) : |
Oral-Rat 5010.00 mg/kg FCTOD7 30,85S,1992
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5.00 gm/kg
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for methyl dihydrojasmonate usage levels up to : |
| | 35.0000 % in the fragrance concentrate.
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| recommendation for methyl dihydrojasmonate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 246-495-9 |
| rtecs : | GY2453800 for 24851-98-7 |
| chemidplus : | 024851987 |
| epa-srs : | 24851-98-7 |
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| (EINECS) number : | 220-112-5 |
| chemidplus : | 002630399 |
| epa-srs : | 2630-39-9 |
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| other : | |
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C of A
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| references : | |
| fl. number : | 09.520 |
| pubchem : | 204759 |
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| pubchem : | 680350 |
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| reference : | Mosciano, Gerard P&F 20, No. 3, 63, (1995)³ |