| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||||||||
| IUPAC name : | methyl 2-cyclohexylacetate | |||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 | |||||||||||||||||||||||||||||||||
| InChIKey : | CRZQGDNQQAALAY-UHFFFAOYAC | |||||||||||||||||||||||||||||||||
| SMILES : | COC(=O)CC1=CC=CC=C1 | |||||||||||||||||||||||||||||||||
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| fda reg : | 172.515 | h. number : | 2916.35.1500 | |||||||||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||||||||
| odor type : | honey | |||||||||||||||||||||||||||||||||
| odor strength : | high , recommend smelling in a 10.00 % solution or less | |||||||||||||||||||||||||||||||||
| odor description : at 10.00 % in dipropylene glycol. | sweet floral honey spice waxy almond | |||||||||||||||||||||||||||||||||
| taste description³ : | at 30.00 ppm. Floral, honey, spice, waxy and sweet | |||||||||||||||||||||||||||||||||
| substantivity : | 56 Hour(s) | |||||||||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||||||||||||||||||||
| assay : | 98.60 - 100.00 % | |||||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | Yes | |||||||||||||||||||||||||||||||||
| specific gravity : | 1.06200 - 1.06600 @ 25.00 °C. | |||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.837 to 8.870 | |||||||||||||||||||||||||||||||||
| refractive index : | 1.50600 - 1.50900 @ 20.00 °C. | |||||||||||||||||||||||||||||||||
| boiling point : | 216.00 - 218.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||||
| acid value : | 1.00 max. KOH/g | |||||||||||||||||||||||||||||||||
| logp : | 1.83 | |||||||||||||||||||||||||||||||||
| 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 2550.00 mg/kg FCTXAV 12,941,1974 | |||||||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit 2400.00 mg/kg FCTXAV 12,941,1974 | |||||||||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | 195.00 °F. TCC ( 90.56 °C. ) | |||||||||||||||||||||||||||||||||
| recommendation for methyl phenyl acetate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 8.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||||||||
| recommendation for methyl phenyl acetate usage levels up to : | ||||||||||||||||||||||||||||||||||
| 30.0000 ppm in the flavor. | ||||||||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||||||||
| (EINECS) number : | 202-940-9 | |||||||||||||||||||||||||||||||||
| rtecs : | AJ3175000 for 101-41-7 | |||||||||||||||||||||||||||||||||
| chemidplus : | 000101417 | |||||||||||||||||||||||||||||||||
| epa-srs : | 101-41-7 | |||||||||||||||||||||||||||||||||
| dtp/nci : | 9405 | |||||||||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||||||||
| pubchem : | 150639 | |||||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 798317273 | |||||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 15, No. 3, 51, (1990)³ | |||||||||||||||||||||||||||||||||
| synonyms : | |
| benzene acetic acid methyl ester | |
| methyl 2-phenyl acetate | |
| methyl alpha-phenyl acetate | |
| methyl alpha-toluate | |
| methyl benzene acetate | |
| methyl benzene ethanoate | |
| methyl phenyl acetate | |
| methyl phenyl ethanoate | |
| phenyl acetic acid methyl ester | |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| fixed oils | |
| water, 2070 mg/L @ 25C | |
| insoluble in : | |
| paraffin oil | |
| glycerin | |
| water | |
| stability : | |
| non-discoloring in most media | |
| (odor and/or flavor) blends with : | |
| acetoin | |
| acetophenone | |
| 2- | acetyl furan |
| allspice oil | |
| allyl amyl glycolate | |
| iso | amyl benzoate |
| alpha- | amyl cinnamaldehyde |
| iso | amyl phenyl acetate |
| iso | amyl salicylate |
| anise seed oil | |
| para- | anisyl acetate |
| para- | anisyl alcohol |
| benzoin resinoid | |
| benzyl acetate | |
| benzyl isoeugenol | |
| blood orange oil | |
| iso | butyl cinnamate |
| iso | butyl phenyl acetate |
| caramel furanone | |
| laevo- | carvone |
| cassia bark oil | |
| chocolate pyrazine | |
| cinnamyl alcohol | |
| citronella oil | |
| clary sage oil | |
| clove bud oil | |
| clover nitrile | |
| costus valerolactone | |
| cyclamen aldehyde | |
| cyclohexyl ethyl alcohol | |
| davana oil | |
| gamma- | decalactone |
| dimethyl anthranilate | |
| dimethyl benzyl carbinyl acetate | |
| dimethyl benzyl carbinyl butyrate | |
| ethyl cinnamate | |
| ethyl maltol | |
| ethyl vanillin | |
| eugenol | |
| iso | eugenyl acetate |
| fennel seed oil | |
| floral pyranol | |
| geraniol | |
| guaiacwood oil | |
| heliotropin | |
| heliotropyl acetate | |
| heliotropyl acetone | |
| heliotropyl diethyl acetal | |
| gamma- | heptalactone |
| (Z)-3- | hexen-1-yl benzoate |
| (Z)-3- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl salicylate |
| alpha- | hexyl cinnamaldehyde |
| hyacinth ether | |
| hydroxycitronellal | |
| ionones | |
| labdanum resinoid | |
| leerall | |
| laevo- | linalool |
| linalool oxide | |
| linalyl acetate | |
| maltol | |
| methyl cedryl ketone | |
| alpha- | methyl cinnamaldehyde |
| methyl cinnamate | |
| methyl cyclopentenolone | |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl ionones | |
| methyl isoeugenol | |
| methyl octine carbonate | |
| mimosa absolute | |
| musks | |
| gamma- | nonalactone |
| ocean propanal | |
| gamma- | octalactone |
| orange oil | |
| peony alcohol | |
| petitgrain oil | |
| phenethyl acetate | |
| phenethyl formate | |
| phenethyl isobutyrate | |
| phenethyl propionate | |
| phenyl acetic acid | |
| 3- | phenyl propyl alcohol |
| raspberry ketone | |
| rose butanoate | |
| santall | |
| strawberry furanone | |
| strawberry glycidate 1 | |
| tobacco dodecane | |
| para- | tolyl aldehyde |
| tonka bean absolute | |
| gamma- | undecalactone |
| vanilla absolute | |
| vanillyl acetate | |
| violet methyl carbonate | |
| woody amylene | |
| (odor and/or flavor) used in : | |
| absinthe | |
| amber | |
| apple | |
| apricot | |
| arnica | |
| baby powder | |
| balsam | |
| banana | |
| beeswax cire d'abeille | |
| blossom tropical blossom | |
| bouquet | |
| bramble arctic bramble blackberry | |
| brandy | |
| bread | |
| briar sweet briar eglantine | |
| butter rum | |
| candy cotton candy | |
| cappuccino | |
| caramel | |
| cassie acacia farnesiana | |
| cereal | |
| chocolate cocoa | |
| cider | |
| civet | |
| coffee | |
| crabapple blossom | |
| date | |
| elder blossom | |
| elderberry | |
| fermented | |
| fixer | |
| flouve blossom | |
| fruit dried fruit | |
| fruit tropical fruit | |
| gingerbread | |
| guaiacwood | |
| guava | |
| habuba | |
| honey miel | |
| honeysuckle chevrefeuille | |
| iris blossom | |
| jackfruit | |
| jasmin | |
| licorice | |
| lily | |
| malt | |
| marigold tagete | |
| meadow | |
| melon watermelon muskmelon cantaloupe | |
| molasses | |
| nut peanut | |
| orange | |
| orange blossom fleur d'oranger | |
| orchid | |
| oriental | |
| papaya | |
| passion blossom | |
| passion fruit | |
| pepper | |
| pineapple | |
| pomegranate | |
| popcorn | |
| raspberry | |
| rose | |
| rose moss rose | |
| rose tea rose | |
| rose white rose | |
| rose wild rose | |
| rum butter rum | |
| sandalwood | |
| stock evening scented stock | |
| strawberry | |
| styrax | |
| sugar brown sugar | |
| sweet pea pois de senteur | |
| tobacco tabac tabaco | |
| toffee | |
| tropical | |
| wallflower giroflee | |
| waxy | |
| wine | |
| wormwood absinthium | |
| natural occurrence in : | |
| brandy apple brandy | |
| capsicum | |
| data page | champaca concrete @ 0.10% |
| cocoa | |
| coffee | |
| data page | eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.40% |
| honey | |
| hop oil | |
| peanut | |
| pepper | |
| data page | thyme oil spain @ trace% |
| wine | |