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| IUPAC name : | 4,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate |
| InChI : | InChI=1/C15H26O2/c1-7-14(13(6)9-8-11(2)3)17-15(16)10-12(4)5/h7-8,12-14H,1,9-10H2,2-6H3 |
| InChIKey : | HEFIQLWSSMNWLQ-UHFFFAOYAW |
| SMILES : | CC(C)CC(=O)OC(C=C)C(C)CC=C(C)C |
| (EINECS) number : | 214-259-4 |
| cas number : | 1118-27-0 |
| fema number : | 2646 |
| coe number : | 449 |
| jecfa number : | 363 |
| fl. number : | 09.454 |
| molar refractivity : | 72.81 ± 0.3 cm3 |
| parachor : | 618.2 ± 4.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.885 ± 0.06 g/cm3 |
| polarizability : | 28.86 ± 0.5 10-24cm3 |
| xlogp : | 4.70 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | citrus bergamot lavender peach apricot sage |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88500 @ 25.00 °C.
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| refractive index : | 1.45200 @ 20.00 °C.
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| boiling point : | 188.00 °C. @ 760.00 mm Hg
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| logp : | 5.24 |
| 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. ) : | 229.00 °F. TCC ( 109.44 °C. )
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| recommendation for linalyl isovalerate usage levels up to : | | | 4.0000 % in the fragrance concentrate.
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| recommendation for linalyl isovalerate usage levels up to : | | | 6.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 214-259-4 |
| rtecs : | RG5927200 for 1118-27-0 |
| chemidplus : | 001118270 |
| epa-srs : | 1118-27-0 |
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| other : | |
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| references : | |
| pubchem : | 157519 |
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| synonyms : |
| 1,5- | dimethyl-1-vinyl hex-4-enyl 3-methyl butanoate | | 1,5- | dimethyl-1-vinyl hex-4-enyl isovalerate | | 3,7- | dimethyl-1,6-octadien-3-yl 3-methyl butanoate | | 3,7- | dimethyl-1,6-octadien-3-yl isovalerate | | | linalyl 3-methyl butanoate | | | linalyl isopentanoate | | | linalyl isovalerate | | | linalyl isovalerianate | | 3- | methyl butanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester | | iso | valeric acid (4,7-dimethyl-1,6-octadien-3-yl) ester | | iso | valeric acid 1,5-dimethyl-1-vinyl-4-hexenyl ester | | iso | valeric acid linalyl ester |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | apple | | | apricot | | | bergamot | | | cranberry | | | exotic | | | gardenia | | | gooseberry | | | honeysuckle chevrefeuille | | | lavender | | | magnolia | | | nut pistachio | | | peach | | | pineapple | | | plum | | | sage | | | sassafras | | | wistaria wisteria glycine |
| natural occurrence in : |
| salvia officinalis |
| salvia spinosa |
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