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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3 |
| InChIKey : | SMQUXKIIXFOJKI-UHFFFAOYAJ |
| SMILES : | CC1=CCC(CC1)C(C)(C)OC(=O)C(C)C |
| (EINECS) number : | 231-878-5 |
| cas number : | 7774-65-4 |
| beilstein number : | 3129659 |
| fema number : | 3050 |
| coe number : | 300 |
| jecfa number : | 371 |
| fl. number : | 09.425 |
| molar refractivity : | 65.80 ± 0.3 cm3 |
| parachor : | 562.8 ± 6.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.945 ± 0.06 g/cm3 |
| polarizability : | 26.08 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | green floral herbal spice fatty bergamot |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94000 - 0.95000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.822 to 7.905
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| boiling point : | 242.00 °C. @ 760.00 mm Hg
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| logp : | 4.55 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for terpinyl isobutyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for terpinyl isobutyrate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-878-5 |
| rtecs : | UA2470450 for 7774-65-4 |
| chemidplus : | 7774-65-4 |
| epa-srs : | 7774-65-4 |
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| other : | |
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| references : | |
| pubchem : | 10547936 |
| NIST Chemistry WebBook : | 2668055724 |
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