| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||||||||
| IUPAC name : | hexyl 2-methylbutanoate | |||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3 | |||||||||||||||||||||||||||||||||
| InChIKey : | YUECNVSODFDKOQ-UHFFFAOYAY | |||||||||||||||||||||||||||||||||
| SMILES : | CCCCCCOC(=O)C(C)CC | |||||||||||||||||||||||||||||||||
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| fda reg : | 172.515 | h. number : | 2915.60.0000 | |||||||||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||||||||
| odor type : | green | |||||||||||||||||||||||||||||||||
| odor strength : | medium | |||||||||||||||||||||||||||||||||
| odor description : at 100.00 %. | green waxy fruity apple tropical | |||||||||||||||||||||||||||||||||
| taste description³ : | at 20.00 ppm. Green, waxy, unripe fruity, apple and banana with a fresh, fleshy nuance | |||||||||||||||||||||||||||||||||
| substantivity : | 12 Hour(s) | |||||||||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||||||||||||||||||||
| assay : | 95.00 - 100.00 % | |||||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | Yes | |||||||||||||||||||||||||||||||||
| specific gravity : | 0.85400 - 0.85900 @ 25.00 °C. | |||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.106 to 7.148 | |||||||||||||||||||||||||||||||||
| refractive index : | 1.41600 - 1.42100 @ 20.00 °C. | |||||||||||||||||||||||||||||||||
| boiling point : | 105.00 °C. @ 30.00 mm Hg | |||||||||||||||||||||||||||||||||
| boiling point : | 203.00 - 204.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||||
| acid value : | 2.00 max. KOH/g | |||||||||||||||||||||||||||||||||
| logp : | 4.24 | |||||||||||||||||||||||||||||||||
| shelf life : | 24.00 month(s) or longer if stored properly. | |||||||||||||||||||||||||||||||||
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. | |||||||||||||||||||||||||||||||||
| safety : | ||||||||||||||||||||||||||||||||||
| most important hazard(s) : | Xi - Irritant | |||||||||||||||||||||||||||||||||
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno,1977b) | |||||||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTOD7 20,721,1982 | |||||||||||||||||||||||||||||||||
| Maximised Survey-derived Daily Intakes (MSDI) : | 4.90 (μg/capita/day) | |||||||||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | 183.00 °F. TCC ( 83.89 °C. ) | |||||||||||||||||||||||||||||||||
| recommendation for hexyl 2-methyl butyrate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 10.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||||||||
| recommendation for hexyl 2-methyl butyrate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 20.0000 ppm in the flavor. | ||||||||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||||||||
| (EINECS) number : | 233-106-2 | |||||||||||||||||||||||||||||||||
| rtecs : | ET5675000 for 10032-15-2 | |||||||||||||||||||||||||||||||||
| chemidplus : | 010032152 | |||||||||||||||||||||||||||||||||
| epa-srs : | 10032-15-2 | |||||||||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||||||||
| pubchem : | 167632 | |||||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 150618714 | |||||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 22, No. 2, 69, (1997)³ | |||||||||||||||||||||||||||||||||
| synonyms : | |
| apple butyrate | |
| hexyl 2-methyl butanoate | |
| hexyl 2-methyl butyrate | |
| hexyl-2-methyl butyrate | |
| 2- | methyl butanoic acid hexyl ester |
| 2- | methyl butanoic acid N-hexyl ester |
| 2- | methyl butyric acid hexyl ester |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| fixed oils | |
| water, very slightly | |
| insoluble in : | |
| water | |
| (odor and/or flavor) blends with : | |
| acetaldehyde ethyl phenethyl acetal | |
| allyl amyl glycolate | |
| allyl hexanoate | |
| iso | amyl acetate |
| iso | amyl butyrate |
| iso | amyl isovalerate |
| benzaldehyde | |
| benzyl acetate | |
| benzyl alcohol | |
| benzyl cinnamate | |
| benzyl propionate | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| citral | |
| citronellyl acetate | |
| citrus carbaldehyde | |
| clary sage oil | |
| coriander seed oil | |
| cyclamen aldehyde | |
| diethyl malonate | |
| dihydrojasmone | |
| dihydromyrcenol | |
| ethyl (E,Z)-2,4-decadienoate | |
| ethyl acetoacetate | |
| ethyl butyrate | |
| ethyl heptanoate | |
| floral pyranol | |
| geranyl acetate | |
| (E)- | geranyl acetone |
| grapefruit pentanol | |
| green acetate | |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl 2-methyl butyrate |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl butyrate |
| (Z)-3- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl salicylate |
| hexyl isovalerate | |
| hyacinth ether | |
| hydroxycitronellal | |
| ionones | |
| 2,4- | ivy carbaldehyde |
| leaf acetal | |
| leerall | |
| linalool | |
| laevo- | linalool |
| linalool oxide | |
| linalyl acetate | |
| melon heptenal | |
| melon nonenoate | |
| methyl 2-methyl valerate | |
| methyl dihydrojasmonate | |
| methyl heptenone | |
| mimosa absolute | |
| muguet carboxaldehyde | |
| neryl acetate | |
| (E,Z)-2,6- | nonadien-1-ol |
| nonanal | |
| (Z)-6- | nonen-1-al |
| ocean propanal | |
| octanal | |
| (Z)-5- | octen-1-ol |
| orange oil | |
| petitgrain oil | |
| phenethyl acetate | |
| raspberry ketone | |
| rose butanoate | |
| santall | |
| strawberry furanone | |
| strawberry glycidate 1 | |
| styralyl acetate | |
| alpha- | terpineol |
| tetrahydrolinalool | |
| gamma- | undecalactone |
| vanillyl acetate | |
| violet leaf absolute | |
| violet methyl carbonate | |
| watermelon ketone | |
| woody acetate | |
| woody amylene | |
| (odor and/or flavor) used in : | |
| aldehydic | |
| apple | |
| apple blossom | |
| apple brandy | |
| apple crabapple | |
| apple green apple | |
| apple red apple | |
| apricot | |
| ash mountain ash blossom | |
| banana | |
| banana quana banana | |
| blueberry | |
| boysenberry | |
| brandy | |
| briar sweet briar eglantine | |
| cedar forest | |
| celery | |
| cherry black cherry | |
| cider | |
| citrus | |
| cloudberry bakeapple | |
| clover trefle le'trefle incarnat | |
| colonia | |
| crabapple blossom | |
| cucumber | |
| dewy | |
| dillenia | |
| elderberry | |
| exotic | |
| fantasy blends | |
| fern fougere | |
| fig | |
| foliage | |
| forest | |
| frangipanni plumeria | |
| fresh | |
| gooseberry | |
| grass green grass | |
| grass sweet grass | |
| green | |
| herbal | |
| hibiscus | |
| huckleberry bilberry | |
| jackfruit | |
| kiwi | |
| kiwi blossom | |
| kumquat | |
| lemon | |
| licorice | |
| lime | |
| linden blossom limeflower tilleul | |
| loganberry dewberry | |
| lychee soapberry | |
| mango | |
| mango blossom | |
| melon | |
| mint | |
| natural | |
| nectarine | |
| ocean sea | |
| orange | |
| pansy | |
| papaya | |
| passion blossom | |
| passion fruit | |
| peach | |
| peach blossom | |
| pear | |
| pear blossom | |
| pear prickly pear | |
| pina colada | |
| pineapple | |
| plum | |
| plum blossom | |
| pomegranate | |
| quince | |
| reseda mignonette | |
| rhubarb | |
| rose wild rose | |
| starfruit | |
| stock evening scented stock | |
| strawberry | |
| tea | |
| tropical | |
| verbena verveine | |
| violet | |
| wine | |
| wintergreen | |
| natural occurrence in : | |
| apple | |
| banana | |
| brandy apple brandy | |
| grape | |
| grape cherimoya grape | |
| data page | heracleum paphlagonicum czeczott fruit oil turkey @ 3.20% |
| data page | lavandin oil abrialis @ 0.12% |
| data page | lavandin oil grosso @ 0.05% |
| data page | lavender oil spike spain @ 0.42% |
| data page | lemon verbena oil morocco @ 0.3% |
| lettuce lamb's | |
| mint | |
| nectarine | |
| data page | salvia atropatana bunge oil iran @ 1.90% |
| strawberry | |
| wine white wine | |