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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl butanoate |
| InChI : | InChI=1/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 |
| InChIKey : | FHLGUOHLUFIAAA-UHFFFAOYAD |
| SMILES : | CCCC(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 201-109-8 |
| cas number : | 78-36-4 |
| fema number : | 2639 |
| coe number : | 276 |
| jecfa number : | 361 |
| fl. number : | 09.050 |
| molar refractivity : | 68.27 ± 0.3 cm3 |
| parachor : | 581.3 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.891 ± 0.06 g/cm3 |
| polarizability : | 27.06 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| 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 %. | bergamot fruity banana buttery |
| taste description³ : | at 20.00 ppm.
Floral, terpy, fruity, citrus and berry |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89300 - 0.90400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.431 to 7.522
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| refractive index : | 1.45100 - 1.45600 @ 20.00 °C.
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| boiling point : | 80.00 - 82.00 °C. @ 0.20 mm Hg
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| boiling point : | 232.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.90 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 218.00 °F. TCC ( 103.33 °C. )
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| recommendation for linalyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for linalyl butyrate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 201-109-8 |
| chemidplus : | 000078364 |
| epa-srs : | 78-36-4 |
| dtp/nci : | 46144 |
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| other : | |
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| references : | |
| pubchem : | 203595 |
| NIST Chemistry WebBook : | 796113424 |
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| reference : | Mosciano, Gerard P&F 19, No. 2, 55, (1994)³ |