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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl butanoate |
| InChI : | InChI=1/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey : | LWKWNIYBQLKBMQ-UHFFFAOYAM |
| SMILES : | CCCC(=O)OC(C)(C)C1CCC(=CC1)C |
| (EINECS) number : | 218-445-6 |
| cas number : | 2153-28-8 |
| fema number : | 3049 |
| coe number : | 278 |
| jecfa number : | 370 |
| fl. number : | 09.052 |
| molar refractivity : | 65.84 ± 0.3 cm3 |
| parachor : | 564.8 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 26.10 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
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| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | sour rosemary fruity balsam |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93800 @ 25.00 °C.
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| refractive index : | 1.46500 @ 20.00 °C.
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| boiling point : | 224.00 °C. @ 760.00 mm Hg
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| logp : | 4.73 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for terpinyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for terpinyl butyrate usage levels up to : |
| | 210.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 218-445-6 |
| chemidplus : | 002153288 |
| epa-srs : | 2153-28-8 |
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| other : | |
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| references : | |
| jecfa number : | 370 |
| fl. number : | 09.052 |
| pubchem : | 203829 |
| NIST Chemistry WebBook : | 1270937583 |
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