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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl hexanoate |
| InChI : | InChI=1/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3 |
| InChIKey : | ALKCLFLTXBBMMP-UHFFFAOYAG |
| SMILES : | CCCCCC(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 231-922-3 |
| cas number : | 7779-23-9 |
| fema number : | 2643 |
| coe number : | 318 |
| jecfa number : | 364 |
| fl. number : | 09.068 |
| molar refractivity : | 77.54 ± 0.3 cm3 |
| parachor : | 660.9 ± 4.0 cm3 |
| index of refraction : | 1.457 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 0.886 ± 0.06 g/cm3 |
| polarizability : | 30.73 ± 0.5 10-24cm3 |
| xlogp : | 5.20 |
| molecular weight : | 252.3923200 |
| formula : | C16 H28 O2 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | green warm fruity animal pear pineapple |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90000 @ 20.00 °C.
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| boiling point : | 252.00 °C. @ 760.00 mm Hg
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| logp : | 5.96 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 177.00 °F. TCC ( 80.56 °C. )
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| recommendation for linalyl hexanoate usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| recommendation for linalyl hexanoate usage levels up to : | | | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-922-3 |
| chemidplus : | 007779239 |
| epa-srs : | 7779-23-9 |
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| other : | |
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| references : | |
| pubchem : | 204203 |
| NIST Chemistry WebBook : | 4178758145 |
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| synonyms : |
| 3,7- | diemthyl-1,6-octadien-3-yl hexanoate | | 1,5- | dimethyl-1-vinyl hex-4-enyl hexanoate | | 1,5- | dimethyl-1-vinyl-4-hexenyl hexanoate | | 1- | ethenyl-1,5-dimethyl-4-hexenyl hexanoate | | | hexanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester | | | hexanoic acid 1,5-dimethyl-1-vinyl-4-hexenyl ester | | | linalyl caproate | | | linalyl capronate | | | linalyl hexanoate | | | linalyl hexoate |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | animal | | | fruit | | | fruit tropical fruit | | | green | | | musk | | | pear |
| natural occurrence in : |
| data page | lavandin oil grosso @ trace% |
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