| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||||||
| IUPAC name : | (1-cyclohexyl-2-methylpropan-2-yl) butanoate | |||||||||||||||||||||||||||||||
| InChI : | InChI=1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3 | |||||||||||||||||||||||||||||||
| InChIKey : | SHSGYHAHMQLYRB-UHFFFAOYAH | |||||||||||||||||||||||||||||||
| SMILES : | CCCC(=O)OC(C)(C)CC1=CC=CC=C1 | |||||||||||||||||||||||||||||||
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| fda reg : | 172.515 | h. number : | 2915.60.1000 | |||||||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||||||
| odor type : | floral | |||||||||||||||||||||||||||||||
| odor strength : | medium | |||||||||||||||||||||||||||||||
| odor description : at 100.00 %. | floral green herbal fruity plum prune | |||||||||||||||||||||||||||||||
| taste description³ : | at 20.00 ppm. Floral, green, herbal, musty and berry with a fresh melon nuance | |||||||||||||||||||||||||||||||
| substantivity : | 100 Hour(s) | |||||||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||||||
| appearence : | colorless clear oily liquid | |||||||||||||||||||||||||||||||
| assay : | 96.00 - 100.00 % | |||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | Yes | |||||||||||||||||||||||||||||||
| specific gravity : | 0.96700 - 0.97500 @ 25.00 °C. | |||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.046 to 8.113 | |||||||||||||||||||||||||||||||
| specific gravity : | 0.96800 - 0.97600 @ 20.00 °C. | |||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.064 to 8.131 | |||||||||||||||||||||||||||||||
| refractive index : | 1.48300 - 1.48800 @ 20.00 °C. | |||||||||||||||||||||||||||||||
| boiling point : | 237.00 - 255.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||
| logp : | 4.06 | |||||||||||||||||||||||||||||||
| 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. ) : | > 212.00 °F. TCC ( > 100.00 °C. ) | |||||||||||||||||||||||||||||||
| recommendation for dimethyl benzyl carbinyl butyrate usage levels up to : | ||||||||||||||||||||||||||||||||
| 8.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||||||
| recommendation for dimethyl benzyl carbinyl butyrate usage levels up to : | ||||||||||||||||||||||||||||||||
| 20.0000 ppm in the flavor. | ||||||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||||||
| (EINECS) number : | 233-221-8 | |||||||||||||||||||||||||||||||
| rtecs : | ET0130000 for 10094-34-5 | |||||||||||||||||||||||||||||||
| chemidplus : | 010094345 | |||||||||||||||||||||||||||||||
| epa-srs : | 10094-34-5 | |||||||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||||||
| pubchem : | 167703 | |||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 1399432603 | |||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 22, No. 4, 75, (1997)³ | |||||||||||||||||||||||||||||||
| synonyms : | |
| benzyl dimethyl carbinyl butyrate | |
| benzyl dimethyl carbinyl N-butyrate | |
| benzyl propyl butyrate | |
| 2- | benzyl-2-propyl butyrate |
| butanoic acid 1,1-dimethyl-2-phenyl ethyl ester | |
| butyric acid alpha,alpha-dimethyl phenethyl ester | |
| dimethyl benzyl carbinyl butyrate | |
| alpha,alpha- | dimethyl phenethyl butyrate |
| alpha,alpha- | dimethyl phenyl ethyl butyrate |
| 1,1- | dimethyl-2-phenyl ethyl butanoate |
| prune butyrate | |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| fixed oils | |
| insoluble in : | |
| water | |
| propylene glycol | |
| stability : | |
| alcoholic lotion | |
| antiperspirant | |
| bleach | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hard surface cleaner | |
| liquid detergent | |
| shampoo | |
| soap | |
| (odor and/or flavor) blends with : | |
| acetaldehyde ethyl phenethyl acetal | |
| acetoin | |
| amber carbinol | |
| iso | amyl benzoate |
| iso | amyl phenyl acetate |
| iso | amyl salicylate |
| amyris wood oil | |
| para- | anisaldehyde |
| para- | anisyl alcohol |
| beeswax absolute | |
| benzoin resinoid | |
| benzyl acetate | |
| benzyl cinnamate | |
| benzyl isoeugenol | |
| benzyl salicylate | |
| blood orange oil | |
| bois de rose oil | |
| iso | butyl cinnamate |
| caramel furanone | |
| caraway seed oil | |
| carrot seed oil | |
| cassia bark oil | |
| cinnamyl alcohol | |
| cistus oil | |
| citronellol | |
| citrus carbaldehyde | |
| clary sage oil | |
| clove bud oil | |
| clover nitrile | |
| coriander seed oil | |
| costus valerolactone | |
| cyclamen aldehyde | |
| cyclohexyl ethyl alcohol | |
| gamma- | decalactone |
| decanol | |
| decyl acetate | |
| dihydrojasmone | |
| dimethyl anthranilate | |
| dimethyl benzyl carbinyl acetate | |
| dodecanol | |
| ethyl cinnamate | |
| ethyl maltol | |
| ethyl phenyl acetate | |
| ethyl vanillin | |
| iso | eugenyl acetate |
| fennel seed oil | |
| fir balsam absolute | |
| floral pyranol | |
| frankincense oil | |
| galbanum oil | |
| gardenia oxide | |
| geraniol | |
| geranyl acetate | |
| grapefruit oil | |
| grapefruit pentanol | |
| green acetate | |
| guaiacwood oil | |
| hay absolute | |
| heliotropin | |
| heliotropyl acetate | |
| heliotropyl acetone | |
| (Z)-3- | hexen-1-yl benzoate |
| (Z)-3- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl tiglate |
| hexyl 2-methyl butyrate | |
| hyacinth ether | |
| hydroxycitronellal | |
| ionones | |
| labdanum resinoid | |
| lavender absolute | |
| linalool | |
| laevo- | linalool |
| linalool oxide | |
| maltol | |
| melon nonenoate | |
| methyl 2-methyl valerate | |
| methyl anthranilate | |
| alpha- | methyl cinnamaldehyde |
| methyl cinnamate | |
| methyl cyclopentenolone | |
| methyl dihydrojasmonate | |
| methyl ionones | |
| muguet carboxaldehyde | |
| musks | |
| beta- | naphthyl ethyl ether |
| nerol | |
| nerolidol | |
| neryl acetate | |
| nonanal | |
| nonanol | |
| ocean propanal | |
| orange oil | |
| orangeflower absolute | |
| peony alcohol | |
| petitgrain oil | |
| phenethyl acetate | |
| phenethyl alcohol | |
| phenethyl isobutyrate | |
| phenethyl phenyl acetate | |
| phenethyl propionate | |
| phenyl acetaldehyde dimethyl acetal | |
| 3- | phenyl propionaldehyde |
| 3- | phenyl propyl alcohol |
| raspberry ketone | |
| rhodinol | |
| rose butanoate | |
| rose oxides | |
| santall | |
| strawberry furanone | |
| strawberry glycidate 1 | |
| styralyl acetate | |
| alpha- | terpineol |
| tetrahydrolinalool | |
| tonka bean absolute | |
| gamma- | undecalactone |
| 10- | undecen-1-al |
| vanilla absolute | |
| vanillyl acetate | |
| verymoss | |
| watermelon ketone | |
| woody acetate | |
| woody amylene | |
| (odor and/or flavor) used in : | |
| angelica | |
| animal | |
| apple | |
| apple red apple | |
| apricot | |
| balsam | |
| bark | |
| basil | |
| beeswax cire d'abeille | |
| blossom tropical blossom | |
| boronia | |
| boysenberry | |
| brandy | |
| briar sweet briar eglantine | |
| broom genet genista | |
| butterscotch | |
| cassis black currant bud | |
| cherry | |
| cherry black cherry | |
| cherry blossom | |
| christmas blends | |
| crabapple blossom | |
| cucumber | |
| currant | |
| date | |
| davana | |
| elder blossom | |
| elderberry | |
| exotic | |
| fantasy blends | |
| fern fougere | |
| fig | |
| fir balsam | |
| fir needle | |
| floral | |
| flouve | |
| foliage | |
| frangipanni plumeria | |
| freesia | |
| fruit dried fruit | |
| fruit jam | |
| fruit tropical fruit | |
| gooseberry | |
| grape | |
| hibiscus | |
| honey miel | |
| honeysuckle chevrefeuille | |
| immortelle helichrysum everlasting | |
| incense | |
| iris blossom | |
| jackfruit | |
| kewda | |
| kiwi | |
| kiwi blossom | |
| kumquat | |
| licorice | |
| loganberry dewberry | |
| magnolia | |
| mandarin | |
| mango | |
| mango blossom | |
| marjoram | |
| melon | |
| melon watermelon muskmelon cantaloupe | |
| molasses | |
| mulberry | |
| orange blossom fleur d'oranger | |
| osmanthus | |
| pansy | |
| papaya | |
| passion blossom | |
| passion fruit | |
| peach | |
| peach blossom | |
| pear | |
| pear blossom | |
| pear prickly pear | |
| plum | |
| plum blossom | |
| plum mirabille blossom | |
| prune | |
| raspberry | |
| rhubarb | |
| rose | |
| rose red rose | |
| rose wild rose | |
| sap | |
| starfruit | |
| stock evening scented stock | |
| sweet pea pois de senteur | |
| tangerine | |
| tea | |
| tropical | |
| tulip | |
| violet | |
| wet fields | |
| natural occurrence in : | |
| not found in nature | |