| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||
| IUPAC name : | hexyl (E)-2-methylbut-2-enoate | |||||||||||||||||||||||||||
| InChI : | InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+ | |||||||||||||||||||||||||||
| InChIKey : | JTCIUOKKVACNCK-BJMVGYQFBA | |||||||||||||||||||||||||||
| SMILES : | CCCCCCOC(=O)/C(=C/C)/C | |||||||||||||||||||||||||||
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| IUPAC name : | hexyl (Z)-2-methylbut-2-enoate | |||||||||||||||||||||||||||
| InChI : | InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5- | |||||||||||||||||||||||||||
| InChIKey : | JTCIUOKKVACNCK-YHYXMXQVBQ | |||||||||||||||||||||||||||
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| fda reg : | unspecified | h. number : | 2916.19 | |||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||
| odor type : | green | |||||||||||||||||||||||||||
| odor strength : | high , recommend smelling in a 10.00 % solution or less | |||||||||||||||||||||||||||
| odor description : at 10.00 % in dipropylene glycol. | fresh green natural oily herbal fruity | |||||||||||||||||||||||||||
| substantivity : | 4 Hour(s) | |||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||||||||||||||
| assay : | 97.00 - 100.00 % sum of isomers | |||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||||||||||||
| specific gravity : | 0.88900 - 0.89900 @ 25.00 °C. | |||||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.397 to 7.481 | |||||||||||||||||||||||||||
| refractive index : | 1.43900 - 1.44800 @ 20.00 °C. | |||||||||||||||||||||||||||
| boiling point : | 108.00 °C. @ 16.00 mm Hg | |||||||||||||||||||||||||||
| boiling point : | 105.00 °C. @ 5.00 mm Hg | |||||||||||||||||||||||||||
| logp : | 4.53 | |||||||||||||||||||||||||||
| 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 >5.00 gm/kg | |||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg | |||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | 209.00 °F. TCC ( 98.33 °C. ) | |||||||||||||||||||||||||||
| recommendation for hexyl tiglate usage levels up to : | ||||||||||||||||||||||||||||
| 8.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||
| (EINECS) number : | 240-997-1 | |||||||||||||||||||||||||||
| rtecs : | GQ5780000 for 16930-96-4 | |||||||||||||||||||||||||||
| chemidplus : | 016930964 | |||||||||||||||||||||||||||
| epa-srs : | 16930-96-4 | |||||||||||||||||||||||||||
| chemidplus : | 65652-33-7 | |||||||||||||||||||||||||||
| epa-srs : | 65652-33-7 | |||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||
| pubchem : | 170651 | |||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 4047690076 | |||||||||||||||||||||||||||
| pubchem : | 65652-33-7 | |||||||||||||||||||||||||||
| synonyms : | |
| hexyl (E)-2-butenoate | |
| (E)- | hexyl crotonate |
| hexyl tiglate | |
| (E)- | hexyl tiglinate |
| hexyl trans-2-butenoate | |
| hexyl trans-2-methyl-2-butenoate | |
| (E)-2- | methyl crotonic acid hexyl ester |
| (2E)-2- | methyl-2-butenoic acid hexyl ester |
| (E)- | methyl-2-butenoic acid hexyl ester |
| (E)- 2- | methyl-2-butenoic acid hexyl ester |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| paraffin oil | |
| insoluble in : | |
| water | |
| (odor and/or flavor) blends with : | |
| acetaldehyde ethyl phenethyl acetal | |
| algae absolute | |
| allyl amyl glycolate | |
| iso | amyl benzoate |
| iso | amyl butyrate |
| iso | amyl salicylate |
| amyris wood oil | |
| para- | anisyl alcohol |
| bay leaf oil | |
| benzyl acetate | |
| benzyl isobutyrate | |
| benzyl propionate | |
| bergamot oil | |
| bois de rose oil | |
| iso | butyl salicylate |
| cinnamyl alcohol | |
| citronellyl acetate | |
| citrus carbaldehyde | |
| clary sage oil | |
| clover nitrile | |
| coriander seed oil | |
| para- | cresyl caprylate |
| cyclohexyl ethyl alcohol | |
| diethyl malonate | |
| dihydrojasmone | |
| dihydromyrcenol | |
| dimethyl benzyl carbinyl butyrate | |
| dodecanal | |
| ethyl heptanoate | |
| fir needle oil | |
| floral pyranol | |
| galbanum oil | |
| gardenia oxide | |
| geranyl acetate | |
| green acetate | |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl benzoate |
| (Z)-3- | hexen-1-yl formate |
| (Z)-3- | hexen-1-yl salicylate |
| (Z)-3- | hexen-1-yl tiglate |
| hexyl 2-methyl butyrate | |
| hexyl acetate | |
| alpha- | hexyl cinnamaldehyde |
| ho leaf oil | |
| ionones | |
| 2,4- | ivy carbaldehyde |
| lavender absolute | |
| leaf acetal | |
| leerall | |
| linalool | |
| laevo- | linalool |
| linalool oxide | |
| melon heptenal | |
| melon nonenoate | |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl octine carbonate | |
| mimosa absolute | |
| muguet carboxaldehyde | |
| nerolidol | |
| neryl acetate | |
| (E,Z)-2,6- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-ol |
| nonanal | |
| oakmoss absolute | |
| ocean propanal | |
| octanal | |
| pepper oil black | |
| petitgrain oil | |
| phenyl acetaldehyde | |
| phenyl acetaldehyde dimethyl acetal | |
| 3- | phenyl propionaldehyde |
| 3- | phenyl propyl alcohol |
| rose butanoate | |
| rose oxides | |
| spruce oil | |
| styralyl acetate | |
| alpha- | terpineol |
| tetrahydrolinalool | |
| tetrahydromyrcenol | |
| 10- | undecen-1-al |
| violet leaf absolute | |
| violet methyl carbonate | |
| woody acetate | |
| woody amylene | |
| (odor and/or flavor) used in : | |
| agrumen | |
| apple blossom | |
| apple crabapple | |
| apple green apple | |
| artichoke | |
| ash mountain ash | |
| ash mountain ash blossom | |
| asparagus | |
| avocado | |
| bark | |
| basil | |
| bean | |
| bouquet | |
| boxwood | |
| boxwood blossom | |
| boxwoodberry | |
| calamus | |
| carrot seed | |
| celery | |
| citrus | |
| clean | |
| clematis | |
| clover trefle le'trefle incarnat | |
| coconut | |
| cognac | |
| costus | |
| crabapple blossom | |
| cucumber | |
| cyclamen | |
| daffodil narcissus | |
| evergreen | |
| fennel | |
| fern fougere | |
| fig | |
| fir balsam | |
| foliage | |
| frangipanni plumeria | |
| fresh | |
| fungus | |
| gardenia | |
| geranium | |
| gooseberry | |
| green | |
| guava | |
| herbal | |
| hyacinth jacinthe | |
| ivy leaf | |
| jonquil narcissus jonquilla | |
| kiwi | |
| leaf green leaf | |
| lily | |
| liverwort | |
| lotus | |
| magnolia | |
| mango | |
| mango blossom | |
| mimosa wattle | |
| moss | |
| muguet lily of the valley | |
| narcissus narcisse | |
| nut | |
| ocean sea | |
| orchid | |
| outdoors fresh outdoors | |
| pansy | |
| parsley | |
| pea green pea | |
| pear prickly pear | |
| peony | |
| pine needle | |
| primrose | |
| privet blossom | |
| reseda mignonette | |
| rhubarb | |
| root | |
| rose geranium | |
| spearmint | |
| stephanotis | |
| sweet pea pois de senteur | |
| vegetable | |
| wintergreen | |
| wormwood absinthium | |
| yew | |
| natural occurrence in : | |
| data page | chamomile oil morocco @ 0.20% |
| gardenia | |
| data page | lavandin oil abrialis @ 0.19% |
| data page | lavandin oil grosso @ 0.13% |
| data page | lavender oil spike france @ 0.02% |
| data page | lavender oil spike spain @ 0.10% |
| data page | witch hazel leaf oil @ trace% |