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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl pentanoate |
| InChI : | InChI=1/C15H26O2/c1-6-8-11-14(16)17-15(5,7-2)12-9-10-13(3)4/h7,10H,2,6,8-9,11-12H2,1,3-5H3 |
| InChIKey : | BYTYEUINJPKZIB-UHFFFAOYAM |
| SMILES : | CCCCC(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 233-961-1 |
| cas number : | 10471-96-2 |
| coe number : | 10738 |
| fl. number : | 09.614 |
| molar refractivity : | 72.90 ± 0.3 cm3 |
| parachor : | 621.1 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.888 ± 0.06 g/cm3 |
| polarizability : | 28.90 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity lavender apricot citrus |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90110 @ 25.00 °C.
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| boiling point : | 281.00 - 282.00 °C. @ 760.00 mm Hg
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| logp : | 5.43 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 173.00 °F. TCC ( 78.33 °C. )
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| recommendation for linalyl valerate usage levels up to : | | | 8.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 233-961-1 |
| chemidplus : | 010471962 |
| epa-srs : | 10471-96-2 |
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| other : | |
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| references : | |
| pubchem : | 689298 |
| NIST Chemistry WebBook : | 4107651958 |
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| synonyms : |
| 3,7- | dimethyl octa-1,6-dien-3-yl pentanoate | | 1,5- | dimethyl-1-vinyl hex-4-enyl valerate | | | linalyl pentanoate | | | linalyl valerate | | | pentanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | apricot | | | lavender | | | pine | | | sassafras | | | tobacco tabac tabaco |
| natural occurrence in : |
| not found in nature |
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