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| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9- |
| InChIKey : | OGJYXQFXLSCKTP-LCYFTJDEBG |
| SMILES : | CC(C)C(=O)OC\C=C(\C)/CCC=C(C)C |
| (EINECS) number : | 219-061-1 |
| cas number : | 2345-24-6 |
| fema number : | 2775 |
| coe number : | 299 |
| jecfa number : | 73 |
| fl. number : | 09.424 |
| molar refractivity : | 68.44 ± 0.3 cm3 |
| parachor : | 578.0 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 27.13 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Bedoukian Research : | NERYL ISOBUTYRATE |
| | ≥97.0%, Kosher |
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| Sigma-Aldrich-SAFC : | Neryl isobutyrate |
| | ≥97%, Kosher |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fresh fruity strawberry raspberry |
| substantivity : | 96 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89500 @ 25.00 °C.
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| refractive index : | 1.45270 @ 20.00 °C.
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| boiling point : | 229.00 °C. @ 760.00 mm Hg
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| boiling point : | 130.00 °C. @ 3.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.98 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat [sex: M] >5000.00 mg/kg (Moreno, 1980d)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 1.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for neryl isobutyrate usage levels up to : | | | 10.0000 % in the fragrance concentrate.
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| recommendation for neryl isobutyrate usage levels up to : | | | 15.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 219-061-1 |
| rtecs : | UA2468500 for 2345-24-6 |
| chemidplus : | 002345246 |
| epa-srs : | 2345-24-6 |
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other :
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references :
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| jecfa number : | 73 |
| fl. number : | 09.424 |
| pubchem : | 197572 |
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| synonyms : |
| (Z)-iso | butyric acid 3,7-dimethyl-2,6-octadienyl ester | | (Z)-3,7- | dimethyl-2,6-octadien-1-yl 2-methyl propanoate | | cis-3,7- | dimethyl-2,6-octadien-1-yl 2-methyl propanoate | | (Z)-3,7- | dimethyl-2,6-octadien-1-yl isobutyrate | | cis-3,7- | dimethyl-2,6-octadien-1-yl isobutyrate | | (Z)-3,7- | dimethyl-2,6-octadienyl 2-methyl propanoate | | (Z)-3,7- | dimethyl-2,6-octadienyl isobutyrate | | (Z)- | geranyl isobutyrate | | (Z)-2- | methyl propanoic acid 3,7-dimethyl-2,6-octadienyl ester | | cis- | neryl 2-methyl propanoate | | | neryl isobutyrate | | (Z)- | neryl isobutyrate | | cis- | neryl isobutyrate |
| soluble in : |
| | alcohol | | | dipropylene glycol | | | water, very slightly |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetaldehyde benzyl 2-methoxyethyl acetal |
| | acetaldehyde dihexyl acetal |
| | acetaldehyde methyl hexyl acetal |
| | acetyl methyl anthranilate |
| | allyl amyl glycolate |
| | allyl butyrate |
| | allyl tiglate |
| iso | amyl benzoate |
| iso | amyl butyrate |
| alpha- | amyl cinnamaldehyde diethyl acetal |
| iso | amyl formate |
| | amyl hexanoate |
| iso | amyl isovalerate |
| iso | amyl octanoate |
| para- | anisyl propanal |
| | apple crotonate |
| | berry hexanoate |
| | berry pentadienoate |
| | boronia absolute |
| | buchu mercaptan |
| | butyl 2-methyl butyrate |
| | butyl isobutyrate |
| | butyl isovalerate |
| iso | butyl isovalerate |
| iso | butyl propionate |
| | butyl valerate |
| iso | butyl-3-(methyl thio) butyrate |
| | campholene acetate |
| | cherry pentenoate |
| | citronellyl propionate |
| | cognac heptanone |
| | conifer acetate |
| beta- | cyclocitral |
| | cyclohexyl ethyl acetate |
| 2- | cyclopentyl cyclopentanone |
| beta- | damascenone |
| gamma- | damascone |
| alpha- | decalactone |
| 3- | decen-2-one |
| 9- | decenoic acid |
| | diethyl malonate |
| | dihydro-alpha-ionone |
| | dimethyl succinate |
| 6,8- | dimethyl-2-nonanol |
| (E,E)-2,4- | dodecadien-1-ol |
| | ethyl (E,Z)-2,4-decadienoate |
| | ethyl (E)-2-decenoate |
| | ethyl (E)-2-hexenoate |
| | ethyl (E)-2-octenoate |
| | ethyl (E)-4-decenoate |
| | ethyl (E)-4-octenoate |
| | ethyl (Z)-3-hexenoate |
| | ethyl 2-cyclohexyl propionate |
| | ethyl 2-octenoate |
| | ethyl 3-acetoxyhexanoate |
| | ethyl 3,5,5-trimethyl hexanoate |
| | ethyl acetoacetate |
| | ethyl cyclohexane propionate |
| | ethyl isovalerate |
| | ethyl maltol |
| | ethyl methyl-para-tolyl glycidate |
| | ethyl octanoate |
| | ethyl ortho-anisate |
| | ethyl salicylate |
| 2- | ethyl-4-butanol |
| | fir carboxylate |
| | fruity ketal |
| | furfuryl propionate |
| (E)- | geranyl acetone |
| | geranyl butyrate |
| | geranyl isovalerate |
| | green dioxolane |
| | heliotropyl acetate |
| | heliotropyl acetone |
| (E,E)-2,4- | heptadien-1-ol |
| | heptanal cyclic ethylene acetal |
| 2- | heptanol |
| | heptyl acetate |
| | heptyl isobutyrate |
| | herbal undecanone |
| | hexanal diethyl acetal |
| | hexanal propylene glycol acetal |
| 2- | hexen-1-al |
| (E)-2- | hexen-1-al diethyl acetal |
| 2- | hexen-1-al diethyl acetal |
| 2- | hexen-1-ol |
| (Z)-3- | hexen-1-yl (E)-2-hexenoate |
| (Z)-3- | hexen-1-yl (Z)-3-hexenoate |
| (Z)-3- | hexen-1-yl 2-methyl-2-pentenoate |
| (E)-2- | hexen-1-yl acetate |
| (E)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl acetate |
| 2- | hexen-1-yl acetate |
| 2- | hexen-1-yl cyclopentanyl acetate |
| (E)-2- | hexen-1-yl formate |
| (E)-2- | hexen-1-yl hexanoate |
| (Z)-3- | hexen-1-yl hexanoate |
| (Z)-3- | hexen-1-yl isobutyrate |
| (E)-2- | hexen-1-yl isovalerate |
| (Z)-3- | hexen-1-yl isovalerate |
| (E)-2- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl propionate |
| (E)-2- | hexen-1-yl valerate |
| (Z)-3- | hexen-1-yl valerate |
| 1- | hexen-3-yl acetate |
| | hexyl (E)-2-hexenoate |
| | hexyl 2-butenoate |
| | hexyl 2-furoate |
| | hexyl acetate |
| | hexyl butyrate |
| | hexyl isobutyrate |
| | hexyl isovalerate |
| | hexyl octanoate |
| | hexyl pivalate |
| | hexyl propionate |
| | hyacinth ether |
| beta- | ionyl acetate |
| | leather propionate |
| | lily propanol |
| | linalyl hexanoate |
| | maltyl isobutyrate |
| | melon nonenoate |
| | melon octenoate |
| | melon valerate |
| 3- | mercaptohexyl acetate |
| | methyl (E)-2-hexenoate |
| | methyl (E)-3-nonenoate |
| | methyl (E)-3-nonenoate |
| | methyl (E)-cinnamate |
| | methyl 2-hexenoate |
| | methyl 2-methyl butyrate |
| | methyl 2-undecynoate |
| | methyl 2,4-decadienoate |
| | methyl 4-pentenoate |
| 2- | methyl butyl 2-methyl butyrate |
| | methyl cinnamate |
| (E)- | methyl geranate |
| | methyl heptanoate |
| | methyl nonanoate |
| | methyl octenoate |
| | methyl propionate |
| | methyl R-3-acetoxyhexanoate |
| 2- | methyl valeraldehyde |
| | methyl valerate |
| 3- | methyl valeric acid |
| (E)-2- | methyl-2-octen-1-al |
| 2- | methyl-2-octen-1-al |
| 2- | methyl-2-pentenoic acid |
| 3- | methyl-3-pentanol |
| | musk propanoate |
| | nerolidyl isobutyrate |
| | nerolin fragarol |
| (E,Z)-3,6- | nonadien-1-yl acetate |
| 3,6- | nonadien-1-yl acetate |
| (Z)-6- | nonen-1-yl acetate |
| (E,E)-2,4- | octadien-1-al |
| 2,4- | octadien-1-al |
| (E,E)-3,5- | octadien-2-one |
| | octen-1-yl cyclopentanone |
| (Z)-3- | octen-1-yl propionate |
| | octyl 2-methyl butyrate |
| | octyl butyrate |
| | octyl propionate |
| | papaya isobutyrate |
| | pear valerate |
| (E)-2- | penten-1-al |
| 2- | pentyl furan |
| | phenethyl butyrate |
| | phenoxyethyl isobutyrate |
| 3- | phenyl propyl isovalerate |
| | phenyl propyl valerate |
| 4- | phenyl-2-butyl acetate |
| | pineapple pentenoate |
| | prenol |
| | prenyl ethyl ether |
| | prenyl hexanoate |
| iso | propyl 2-methyl butyrate |
| | propyl 2,4-decadienoate |
| | propyl acetate |
| | propyl heptanoate |
| iso | propyl isobutyrate |
| alpha-iso | propyl phenyl acetaldehyde |
| | prune glycidate |
| | raspberry ketone |
| | raspberry ketone acetate |
| | raspberry ketone methyl ether |
| | rhubarb undecane |
| | sorbyl isobutyrate |
| | strawberry furanone |
| | strawberry glycidate 1 |
| | strawberry glycidate 2 |
| | tetrahydrofurfuryl butyrate |
| | thiogeraniol |
| | tiglaldehyde |
| | timber dioxolane |
| 4-(para- | tolyl)-2-butanone |
| | tricyclodecyl acetate |
| (E)-2- | tridecen-1-yl acetate |
| | tropical indene |
| | tropical thiazole |
| | violet dienyne |
| | woody acetate |
| (odor and/or flavor) used in : |
| | berry | | | blackberry | | | blueberry | | | champaca champak | | | citrus | | | honeysuckle chevrefeuille | | | huckleberry bilberry | | | lilac lilas syringa | | | lily | | | melon watermelon muskmelon cantaloupe | | | modifier | | | mulberry | | | neroli | | | pear | | | petal flower petal | | | plum | | | raspberry | | | rose | | | strawberry | | | tropical | | | tutti frutti | | | wallflower giroflee | | | ylang ylang cananga |
| natural occurrence in : |
| data page | wormwood oil america @ 1.44% |
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