| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | |||||||||||||||||||||||||||||||||
| IUPAC name : | 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-1-one | ||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,8,12H,1,6-7,9H2,2-4H3 | ||||||||||||||||||||||||||||||||
| InChIKey : | GCGZDUFEEQNVPR-UHFFFAOYAA | ||||||||||||||||||||||||||||||||
| SMILES : | CC1=CCCC(C1C(=O)CC=C)(C)C | ||||||||||||||||||||||||||||||||
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| IUPAC name : | (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one | ||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+ | ||||||||||||||||||||||||||||||||
| InChIKey : | CRIGTVCBMUKRSL-FNORWQNLBZ | ||||||||||||||||||||||||||||||||
| SMILES : | C\C=C\C(=O)C1C(=CCCC1(C)C)C | ||||||||||||||||||||||||||||||||
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| IUPAC name : | (Z)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one | ||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5- | ||||||||||||||||||||||||||||||||
| InChIKey : | CRIGTVCBMUKRSL-ALCCZGGFBF | ||||||||||||||||||||||||||||||||
| SMILES : | C\C=C/C(=O)C1C(=CCCC1(C)C)C | ||||||||||||||||||||||||||||||||
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| fda reg : | unspecified | h. number : | unspecified | ||||||||||||||||||||||||||||||
| organoleptics : | |||||||||||||||||||||||||||||||||
| odor strength : | high , recommend smelling in a 1.00 % solution or less | ||||||||||||||||||||||||||||||||
| odor description : at 1.00 % in dipropylene glycol. | floral berry fruity apple | ||||||||||||||||||||||||||||||||
| taste description³ : | at 30.00 ppm. Sweet, fruity, woody with a green seedy background | ||||||||||||||||||||||||||||||||
| substantivity : | 66 hour(s) at 100.00 % | ||||||||||||||||||||||||||||||||
| properties : | |||||||||||||||||||||||||||||||||
| appearence : | pale yellow clear liquid | ||||||||||||||||||||||||||||||||
| assay : | 98.00 - 100.00 % sum of isomers | ||||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | ||||||||||||||||||||||||||||||||
| specific gravity : | 0.92800 - 0.93800 @ 25.00 °C. | ||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.722 to 7.805 | ||||||||||||||||||||||||||||||||
| refractive index : | 1.49200 - 1.49900 @ 20.00 °C. | ||||||||||||||||||||||||||||||||
| acid value : | 1.00 max. KOH/g | ||||||||||||||||||||||||||||||||
| logp : | 3.91 | ||||||||||||||||||||||||||||||||
| shelf life : | 12.00 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) : | Not determined | ||||||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : | Not determined | ||||||||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. ) | ||||||||||||||||||||||||||||||||
| IFRA critical Effect : | Sensitization | ||||||||||||||||||||||||||||||||
| Fragrance usage is RESTRICTED to : | |||||||||||||||||||||||||||||||||
| Please review all IFRA documents for complete information. (QRA) | |||||||||||||||||||||||||||||||||
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.) | |||||||||||||||||||||||||||||||||
| Category 1 : | 0.003 % (1) | Category 2 : | 0.004 % | ||||||||||||||||||||||||||||||
| Category 3 : | 0.02 % | Category 4 : | 0.05 % | ||||||||||||||||||||||||||||||
| Category 5 : | 0.02 % | Category 6 : | 0.07 % (1) | ||||||||||||||||||||||||||||||
| Category 7 : | 0.008 % | Category 8 : | 0.10 % | ||||||||||||||||||||||||||||||
| Category 9 : | 0.50 % | Category 10 : | 0.80 % | ||||||||||||||||||||||||||||||
| Category 11 : | See Note | ||||||||||||||||||||||||||||||||
(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). | |||||||||||||||||||||||||||||||||
Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product. For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case alpha-damascone) must not exceed 5% in the candle. | |||||||||||||||||||||||||||||||||
| recommendation for alpha-damascone usage levels up to : | |||||||||||||||||||||||||||||||||
| 25.0000 ppm in the flavor. | |||||||||||||||||||||||||||||||||
| safety links : | |||||||||||||||||||||||||||||||||
| msds : | msds | ||||||||||||||||||||||||||||||||
| chemidplus : | 43052-87-5 | ||||||||||||||||||||||||||||||||
| epa-srs : | 43052-87-5 | ||||||||||||||||||||||||||||||||
| (EINECS) number : | 246-430-4 | ||||||||||||||||||||||||||||||||
| chemidplus : | 024720090 | ||||||||||||||||||||||||||||||||
| epa-srs : | 24720-09-0 | ||||||||||||||||||||||||||||||||
| (EINECS) number : | 245-845-8 | ||||||||||||||||||||||||||||||||
| chemidplus : | 023726945 | ||||||||||||||||||||||||||||||||
| epa-srs : | 23726-94-5 | ||||||||||||||||||||||||||||||||
| other : | |||||||||||||||||||||||||||||||||
| C of A | |||||||||||||||||||||||||||||||||
| references : | |||||||||||||||||||||||||||||||||
| pubchem : | 43119189 | ||||||||||||||||||||||||||||||||
| pubchem : | 667914 | ||||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 1425879569 | ||||||||||||||||||||||||||||||||
| pubchem : | 023726945 | ||||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 16, No. 2, 49, (1991)³ | ||||||||||||||||||||||||||||||||
| synonyms : | |
| damarose alpha | |
| alpha- | damascone |
| dihydro floriffone a | |
| 1-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-2-butenone |
| 4-(2,6,6- | trimethyl-2-cyclohexenyl)-2-buten-4-one |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| insoluble in : | |
| water | |
| stability : | |
| alcoholic solution | |
| antiperspirant | |
| cream | |
| deodorant spray | |
| hair spray | |
| shampoo | |
| soap | |
| (odor and/or flavor) blends with : | |
| 2- | acetyl furan |
| allyl amyl glycolate | |
| allyl cyclohexyl propionate | |
| iso | amyl salicylate |
| amyris wood oil | |
| angelica root oil | |
| para- | anisaldehyde |
| anise seed oil | |
| para- | anisyl alcohol |
| benzyl acetate | |
| benzyl cinnamate | |
| benzyl propionate | |
| blood orange oil | |
| bois de rose oil | |
| iso | butyl cinnamate |
| campal | |
| caramel furanone | |
| caraway seed oil | |
| cassia bark oil | |
| cinnamyl alcohol | |
| cistus oil | |
| clary sage oil | |
| clove bud oil | |
| coriander seed oil | |
| para- | cresol |
| currant bud absolute black | |
| cyclamen aldehyde | |
| cyclohexyl ethyl alcohol | |
| gamma- | decalactone |
| decanal | |
| dihydrojasmone | |
| dimethyl benzyl carbinyl butyrate | |
| ethyl (E,Z)-2,4-decadienoate | |
| ethyl acetoacetate | |
| ethyl cinnamate | |
| ethyl heptanoate | |
| ethyl maltol | |
| iso | eugenyl acetate |
| floral pyranol | |
| galbanum oil | |
| geraniol | |
| geranyl acetate | |
| (E)- | geranyl acetone |
| grapefruit oil | |
| grapefruit pentanol | |
| green acetate | |
| heliotropin | |
| heliotropyl acetone | |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl butyrate |
| (Z)-3- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl salicylate |
| (Z)-3- | hexen-1-yl tiglate |
| hexyl acetate | |
| alpha- | hexyl cinnamaldehyde |
| hexyl tiglate | |
| indole | |
| ionones | |
| leaf acetal | |
| leerall | |
| linalool | |
| linalool oxide | |
| maltol | |
| 3- | megastigmatrienone |
| melon heptenal | |
| melon nonenoate | |
| ortho- | methoxybenzyl ethyl ether |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl ionones | |
| methyl octine carbonate | |
| mimosa absolute | |
| muguet octadienol | |
| musks | |
| beta- | naphthyl ethyl ether |
| nerol | |
| nerolidol | |
| neryl acetate | |
| (E,Z)-2,6- | nonadien-1-ol |
| nonanal | |
| (Z)-6- | nonen-1-al |
| ocean propanal | |
| peony alcohol | |
| petitgrain oil | |
| phenethyl acetate | |
| phenethyl isobutyrate | |
| phenethyl isovalerate | |
| raspberry ketone methyl ether | |
| rose butanoate | |
| rose oxides | |
| santall | |
| skatole | |
| strawberry furanone | |
| strawberry glycidate 1 | |
| tagette oil | |
| alpha- | terpineol |
| para- | tolyl aldehyde |
| para- | tolyl isobutyrate |
| para- | tolyl isovalerate |
| gamma- | undecalactone |
| 10- | undecen-1-al |
| 10- | undecen-1-ol |
| vanilla absolute | |
| vanillyl acetate | |
| verymoss | |
| violet leaf absolute | |
| violet methyl carbonate | |
| watermelon ketone | |
| woody amylene | |
| ylang ylang oil | |
| (odor and/or flavor) used in : | |
| agrumen | |
| aldehydic | |
| amber | |
| anais anais | |
| angelica | |
| animal | |
| apple | |
| apple blossom | |
| apple brandy | |
| apple crabapple | |
| apple green apple | |
| apple red apple | |
| apricot | |
| ash mountain ash berry | |
| azzaro | |
| bark | |
| berry | |
| berry jam | |
| blossom tropical blossom | |
| boxwood | |
| bramble arctic bramble blackberry | |
| briar sweet briar eglantine | |
| cassis black currant bud | |
| cedar forest | |
| chamomile | |
| cheese ghee cheese | |
| cherry black cherry | |
| christmas blends | |
| chrysanthemum chrysantheme | |
| cistus | |
| citrus | |
| cloudberry bakeapple | |
| crabapple blossom | |
| cranberry | |
| currant black currant | |
| date | |
| de bagatelle | |
| drakkar | |
| drakkar noir | |
| elderberry | |
| fig | |
| floral | |
| fruit | |
| fruit dried fruit | |
| fruit tropical fruit | |
| ginger ale | |
| gooseberry | |
| grape | |
| grape white grape | |
| guava | |
| herbal | |
| hibiscus | |
| honey miel | |
| honeysuckle chevrefeuille | |
| hugonia | |
| immortelle helichrysum everlasting | |
| jardins de bagatelle | |
| kiwi | |
| kiwi blossom | |
| licorice red licorice | |
| lychee soapberry | |
| mango | |
| maple | |
| marigold tagete | |
| marjoram | |
| mate | |
| melon | |
| montana | |
| nahema | |
| nectarine | |
| pansy | |
| paris | |
| passion blossom | |
| passion fruit | |
| pear | |
| pear bartlett pear | |
| pear blossom | |
| pear emperor pear | |
| pineapple | |
| plum | |
| plum greengage plum | |
| plum mirabelle plum | |
| poison | |
| pomegranate | |
| prune | |
| raisin | |
| raspberry | |
| redwood | |
| rose | |
| rose tea rose | |
| rose wild rose | |
| rue | |
| saint laurent | |
| starfruit | |
| tangerine | |
| tea | |
| tea green tea | |
| tobacco tabac tabaco | |
| toffee | |
| tropical | |
| watercress nasturtium | |
| white linen | |
| wine | |
| woody | |
| wormwood absinthium | |
| natural occurrence in : | |
| rose | |
| tea | |
| tobacco | |