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| IUPAC name : | 4-methylpent-4-en-2-yl 2-methylpropanoate |
| InChI : | InChI=1/C10H18O2/c1-7(2)6-9(5)12-10(11)8(3)4/h8-9H,1,6H2,2-5H3 |
| InChIKey : | JJWWUTCHOAKZPR-UHFFFAOYAM |
| SMILES : | CC(C)C(=O)OC(C)CC(=C)C |
| (EINECS) number : | 279-399-0 |
| cas number : | 80118-06-5 |
| molar refractivity : | 49.63 ± 0.3 cm3 |
| parachor : | 434.6 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 19.67 ± 0.06 g/cm3 |
| xlogp : | 2.30 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | very natural fruity floral herbal chamomile |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86700 - 0.87400 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.223 to 7.281
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| refractive index : | 1.41900 - 1.42300 @ 20.00 °C.
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| boiling point : | 185.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.14 |
| 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. ) : | 128.00 °F. TCC ( 53.33 °C. )
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| recommendation for chamomile isobutyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for chamomile isobutyrate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 279-399-0 |
| chemidplus : | 080118065 |
| epa-srs : | 80118-06-5 |
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| other : | |
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| references : | |
| pubchem : | 3771517 |
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