| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||
| IUPAC name : | 2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate | |||||||||||||||||||||||||
| InChI : | InChI=1/C12H18O2/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-13/h3,6,9-10H,4-5,7-8H2,1-2H3 | |||||||||||||||||||||||||
| InChIKey : | VQKSHQQZPYHYOS-UHFFFAOYAA | |||||||||||||||||||||||||
| SMILES : | CC(C)C1=CCC(=CC1)CCOC=O | |||||||||||||||||||||||||
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| export tariff code : | 2915.13.0000 | |||||||||||||||||||||||||
| fda reg : | unspecified | |||||||||||||||||||||||||
organoleptics : | ||||||||||||||||||||||||||
| odor strength : | medium | |||||||||||||||||||||||||
| odor description : at 100.00 %. | sweet floral fruity herbal minty | |||||||||||||||||||||||||
| substantivity : | 8 Hour(s) | |||||||||||||||||||||||||
properties : | ||||||||||||||||||||||||||
| appearence : | colorless to pale yellow clear liquid | |||||||||||||||||||||||||
| assay : | 98.00 to 100.00 % | |||||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||||||||||
| specific gravity : | 0.99000 to 0.99700 @ 25.00 °C. | |||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.238 to 8.296 | |||||||||||||||||||||||||
| refractive index : | 1.48400 to 1.49000 @ 20.00 °C. | |||||||||||||||||||||||||
| boiling point : | 271.00 to 272.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||
| vapor density : | 6.7 ( Air = 1 ) | |||||||||||||||||||||||||
| flash point : | > 200.00 °F. TCC ( > 93.33 °C. ) | |||||||||||||||||||||||||
| logP (o/w) : | 3.10 | |||||||||||||||||||||||||
safety : | ||||||||||||||||||||||||||
| most important hazard(s) : | Xi - Irritant | |||||||||||||||||||||||||
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | ||||||||||||||||||||||||||
| Oral Toxicity(LD50) : | ||||||||||||||||||||||||||
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Oral-Rat 3568.00 mg/kg | ||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||||||||||||||
|
Skin-Rabbit >5000.00 mg/kg | ||||||||||||||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||||||||||||||
| Not determined | ||||||||||||||||||||||||||
safety in use : | ||||||||||||||||||||||||||
| IFRA critical Effect : | Sensitization | |||||||||||||||||||||||||
| IFRA fragrance material specification : | ||||||||||||||||||||||||||
| Should not be used such that the level in finished cosmetic products exceeds 0.1 %. Based on tests showing sensitisation (IFRA guidelines). | ||||||||||||||||||||||||||
| limits in the finished product for - "leave on the skin contact" : | ||||||||||||||||||||||||||
| 0.1000 % Restriction. | ||||||||||||||||||||||||||
| limits in the finished product for - "wash off the skin contact" : | ||||||||||||||||||||||||||
| 0.1000 % Restriction. | ||||||||||||||||||||||||||
| limits in the finished product for - "no skin contact" : | ||||||||||||||||||||||||||
| 1.0000 % Restriction. | ||||||||||||||||||||||||||
| recommendation for menthadienyl formate usage levels up to : | ||||||||||||||||||||||||||
| 3.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||
| recommendation for menthadienyl formate usage levels up to : | ||||||||||||||||||||||||||
| not for flavor use. | ||||||||||||||||||||||||||
safety references : | ||||||||||||||||||||||||||
| EPI System : | view | |||||||||||||||||||||||||
| IFRA : | IFRA - ( Found under : Menthadienyl formate (Isobergamate) ) | |||||||||||||||||||||||||
| Canada Domestic Sub. List : | Yes | |||||||||||||||||||||||||
| EPA Chem. Sub. Inventory : | Yes | |||||||||||||||||||||||||
| SCCNFP : | opinion | |||||||||||||||||||||||||
| WGK Germany : | 2 | |||||||||||||||||||||||||
| 2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate | ||||||||||||||||||||||||||
| (EINECS) number : | 272-066-0 | |||||||||||||||||||||||||
| chemidplus : | 068683205 | |||||||||||||||||||||||||
| EPA Substance Registry Services : | 68683-20-5 | |||||||||||||||||||||||||
references : | ||||||||||||||||||||||||||
| 2-(4-propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate | ||||||||||||||||||||||||||
| pubchem : | 688792 | |||||||||||||||||||||||||
Cosmetics : | ||||||||||||||||||||||||||
| Cosmetic uses : |
perfuming agents | |||||||||||||||||||||||||
other : | ||||||||||||||||||||||||||
| CosIng : | cosmetic data | |||||||||||||||||||||||||
| synonyms : | |
| iso | bergamate |
| formic acid 2-(4-isopropyl cyclohexa-1,4-dien-1-yl) ethyl formate | |
| menthadiene-7-methyl formate | |
| 4-(1- | methyl ethyl)-cyclohexadiene-1-ethyl formate |
| 2-(4- | propan-2-yl-1-cyclohexa-1,4-dienyl)ethyl formate |
| 2-(4-iso | propyl cyclohexadienyl) ethyl formate |
| 4-(iso | propyl)-cyclohexadiene-1-ethyl formate |
soluble in : | |
| alcohol | |
insoluble in : | |
| water | |
(odor and/or flavor) blends with : | |
| allyl amyl glycolate | |
| allyl cyclohexyl propionate | |
| iso | amyl acetate |
| iso | amyl benzoate |
| iso | amyl butyrate |
| iso | amyl isovalerate |
| iso | amyl salicylate |
| para- | anisyl alcohol |
| benzophenone | |
| benzyl acetate | |
| benzyl isobutyrate | |
| benzyl propionate | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| cardamom seed oil | |
| cinnamyl alcohol | |
| citronellol | |
| clary sage oil | |
| clove bud oil | |
| coriander seed oil | |
| cortex pyridine | |
| cyclamen aldehyde | |
| iso | cyclocitral |
| cyclohexyl ethyl alcohol | |
| gamma- | decalactone |
| decanal | |
| decanol | |
| dihydroterpinyl acetate | |
| dimethyl anthranilate | |
| ethyl (E,Z)-2,4-decadienoate | |
| ethyl cinnamate | |
| ethyl heptanoate | |
| floral pyranol | |
| galbanum oil | |
| gardenia oxide | |
| geraniol | |
| grapefruit oil | |
| grapefruit pentanol | |
| green acetate | |
| heliotropyl acetate | |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl salicylate |
| hexyl 2-methyl butyrate | |
| alpha- | hexyl cinnamaldehyde |
| hyacinth ether | |
| ionones | |
| 2,4- | ivy carbaldehyde |
| leaf acetal | |
| lemon oil | |
| lime oil | |
| linalool | |
| laevo- | linalool |
| linalool oxide | |
| linalyl acetate | |
| litsea cubeba oil | |
| melon nonenoate | |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl ionones | |
| muguet octadienol | |
| musks | |
| nerol | |
| nonanol | |
| ocean propanal | |
| orange oil | |
| patchouli ethanone | |
| peony alcohol | |
| petitgrain oil | |
| phenethyl acetate | |
| phenethyl alcohol | |
| phenethyl isobutyrate | |
| phenyl acetaldehyde dimethyl acetal | |
| raspberry ketone | |
| rhodinol | |
| rose butanoate | |
| santall | |
| styralyl acetate | |
| alpha- | terpineol |
| alpha- | terpinyl acetate |
| tetrahydrolinalool | |
| tetrahydromyrcenol | |
| para- | tolyl aldehyde |
| tonka bean absolute | |
| gamma- | undecalactone |
| 10- | undecen-1-al |
| vanilla absolute | |
| vanillyl acetate | |
| verymoss | |
| violet leaf absolute | |
| violet methyl carbonate | |
| woody amylene | |
| ylang ylang oil | |
(odor and/or flavor) used in : | |
| agrumen | |
| aldehydic | |
| alpine bouquet | |
| amaryllis | |
| apple green apple | |
| ash mountain ash | |
| bayberry | |
| bergamot | |
| blossom tropical blossom | |
| boronia | |
| boxwood | |
| boxwood blossom | |
| carrot seed | |
| chamomile | |
| chervil | |
| cilantro | |
| citrus | |
| clematis | |
| cologne | |
| cranberry | |
| daffodil narcissus | |
| dillenia | |
| evergreen | |
| fern fougere | |
| fig | |
| floral | |
| foliage | |
| fresh | |
| fruit tropical fruit | |
| geranium | |
| gooseberry | |
| grape | |
| grapefruit | |
| grass green grass | |
| herbal | |
| hibiscus | |
| ivy leaf | |
| kiwi | |
| lemon | |
| lilac lilas syringa | |
| lime | |
| linden blossom limeflower tilleul | |
| lotus | |
| mimosa wattle | |
| ocean sea | |
| osmanthus | |
| palmarosa | |
| pansy | |
| parsley | |
| passion blossom | |
| passion fruit | |
| petitgrain | |
| petitgrain lime petitgrain | |
| pine | |
| pine needle | |
| pineapple | |
| privet blossom | |
| rain spring rain | |
| reseda mignonette | |
| rhubarb | |
| rose tea rose | |
| rose wild rose | |
| saffron | |
| seedy | |
| spruce | |
| tea | |
| tropical | |
| valerian | |
| watercress nasturtium | |
| wormwood absinthium | |
| yew | |
natural occurrence in : | |
| not found in nature | |