| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate |
| InChI : | InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9- |
| InChIKey : | SOUKTGNMIRUIQN-ZROIWOOFBN |
| SMILES : | CC(C)CC(=O)OC\C=C(\C)/CCC=C(C)C |
| (EINECS) number : | 223-478-4 |
| cas number : | 3915-83-1 |
| fema number : | 2778 |
| coe number : | 508 |
| jecfa number : | 76 |
| fl. number : | 09.471 |
| molar refractivity : | 73.07 ± 0.3 cm3 |
| parachor : | 617.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 28.96 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | sweaty floral rose bergamot citrus fruity |
| taste description³ : | at 5.00 - 20.00 ppm. Fruity, rich floral and slightly citrus-like with berry waxy nuances of blueberry fruity notes of apple, grape, peach and apricot |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88300 - 0.89300 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.347 to 7.431
|
| refractive index : | 1.45300 - 1.46300 @ 20.00 °C.
|
| boiling point : | 252.00 °C. @ 760.00 mm Hg
|
| logp : | 5.51 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 0.024 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 230.00 °F. TCC ( 110.00 °C. )
|
| | |
| recommendation for neryl isovalerate usage levels up to : | | | 10.0000 % in the fragrance concentrate.
|
| | |
| recommendation for neryl isovalerate usage levels up to : | | | 20.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 223-478-4 |
| rtecs : | RG5927710 for 3915-83-1 |
| chemidplus : | 3915-83-1 |
| epa-srs : | 3915-83-1 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 10545075 |
| NIST Chemistry WebBook : | 299268861 |
| | |
| reference : | Mosciano, Gerard P&F 26, No. 2, 40, (2001)³ |
|
| synonyms : |
| 3,7- | dimethyl-2-cis-6-octadien-1-yl isovalerate | | (2Z)-3,7- | dimethyl-2,6-octadien-1-ol isovalerate | | (Z)-3,7- | dimethyl-2,6-octadien-1-yl 3-methyl butanoate | | cis-3,7- | dimethyl-2,6-octadien-1-yl 3-methyl butanoate | | (Z)-3,7- | dimethyl-2,6-octadien-1-yl isopentanoate | | cis-3,7- | dimethyl-2,6-octadien-1-yl isopentanoate | | (Z)-3,7- | dimethyl-2,6-octadien-1-yl isovalerate | | cis-3,7- | dimethyl-2,6-octadien-1-yl isovalerate | | (Z)- | geranyl isovalerate | | | neryl 3-methyl butanoate | | | neryl beta-methyl butyrate | | | neryl isovalerate | | (Z)- | neryl isovalerate | | cis- | neryl isovalerate | | | neryl isovalerianate | | (Z)-iso | valeric acid 3,7-dimethyl-2,6-octadienyl ester | | iso | valeric acid neryl ester |
| soluble in : |
| | alcohol | | | dipropylene glycol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | almond | | | apple | | | banana quana banana | | | bergamot | | | blueberry | | | clary sage | | | cranberry | | | currant black currant | | | gardenia | | | grape | | | grapefruit | | | herbal | | | jonquil narcissus jonquilla | | | linden blossom limeflower tilleul | | | loganberry dewberry | | | mango | | | muguet lily of the valley | | | oakmoss mousse de chene | | | oriental | | | petitgrain | | | rose moss rose | | | rose tea rose | | | rose white rose |
| natural occurrence in : |
| data page | helichrysum italicum oil america @ 0.18% |
| data page | valerian root oil china @ 1.52% |
|