| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||
| IUPAC name : | 3,7-dimethyloct-6-enyl acetate | |||||||||||||||||||||||||
| InChI : | InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3 | |||||||||||||||||||||||||
| InChIKey : | JOZKFWLRHCDGJA-UHFFFAOYAB | |||||||||||||||||||||||||
| SMILES : | CC(CCC=C(C)C)CCOC(=O)C | |||||||||||||||||||||||||
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| export tariff code : | 2915.39.9090 | |||||||||||||||||||||||||
| fda reg : | 172.515 | |||||||||||||||||||||||||
Suppliers : | ||||||||||||||||||||||||||
| Takasago : | l-Citronellyl Acetate
≥98% as Citronellyl acetate Odor: Fresh-rosy-fruity | |||||||||||||||||||||||||
organoleptics : | ||||||||||||||||||||||||||
| odor type : | floral | |||||||||||||||||||||||||
| odor strength : | medium | |||||||||||||||||||||||||
| odor description :¹ at 100.00 %. | fresh fruity rose bergamot rose sweet | |||||||||||||||||||||||||
| odor sample from : | Takasago International Corp | |||||||||||||||||||||||||
| substantivity : | 8 Hour(s) | |||||||||||||||||||||||||
properties : | ||||||||||||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||||||||||||
| assay : | 98.00 to 100.00 % | |||||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||||||||||
| specific gravity : | 0.88500 to 0.89500 @ 25.00 °C. | |||||||||||||||||||||||||
| pounds per gallon - calc. : | 7.364 to 7.447 | |||||||||||||||||||||||||
| refractive index : | 1.44100 to 1.44500 @ 20.00 °C. | |||||||||||||||||||||||||
| boiling point : | 118.00 to 122.00 °C. @ 15.00 mm Hg | |||||||||||||||||||||||||
| boiling point : | 258.00 to 259.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||
| acid value : | 1.00 max. KOH/g | |||||||||||||||||||||||||
| vapor pressure : | 0.01000 mm/Hg @ 20.00 °C. | |||||||||||||||||||||||||
| flash point : | 240.00 °F. TCC ( 115.56 °C. ) | |||||||||||||||||||||||||
| logP (o/w) : | 4.28 | |||||||||||||||||||||||||
safety : | ||||||||||||||||||||||||||
| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. | |||||||||||||||||||||||||
|
R 36/38 - Irritating to skin and eyes. R 41 - Risk of serious damage to eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. 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) : | ||||||||||||||||||||||||||
|
Oral-Rat 6800.00 mg/kg | ||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||||||||||||||
|
Skin-Rabbit >2000.00 mg/kg | ||||||||||||||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||||||||||||||
| Not determined | ||||||||||||||||||||||||||
safety in use : | ||||||||||||||||||||||||||
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 190.00 (μg/capita/day) | |||||||||||||||||||||||||
| recommendation for laevo-citronellyl acetate usage levels up to : | ||||||||||||||||||||||||||
| 15.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||
safety references : | ||||||||||||||||||||||||||
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... | |||||||||||||||||||||||||
| EPI System : | view | |||||||||||||||||||||||||
| EPA Chem. Sub. Inventory : | Yes | |||||||||||||||||||||||||
| WGK Germany : | 2 | |||||||||||||||||||||||||
| 3,7-dimethyloct-6-enyl acetate | ||||||||||||||||||||||||||
| (EINECS) number : | 266-767-0 | |||||||||||||||||||||||||
| chemidplus : | 067601052 | |||||||||||||||||||||||||
| EPA Substance Registry Services : | 67601-05-2 | |||||||||||||||||||||||||
references : | ||||||||||||||||||||||||||
| 3,7-dimethyloct-6-enyl acetate | ||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 000150845 | |||||||||||||||||||||||||
| pubchem : | 683947 | |||||||||||||||||||||||||
other : | ||||||||||||||||||||||||||
| reference : | Luebke, William tgsc, (1988)¹ | |||||||||||||||||||||||||
| VCF-Online: | VCF Volatile Compounds in Food | |||||||||||||||||||||||||
| synonyms : | |
| (-)-3,7- | dimethyl oct-6-enyl acetate |
| (3S)-3,7- | dimethyl-6-octen-1-ol acetate |
| 3,7- | dimethyloct-6-enyl acetate |
soluble in : | |
| alcohol | |
insoluble in : | |
| water | |
(odor and/or flavor) blends with : | |
| acetaldehyde ethyl phenethyl acetal | |
| allyl amyl glycolate | |
| allyl cyclohexyl propionate | |
| iso | amyl acetate |
| iso | amyl butyrate |
| alpha- | amyl cinnamaldehyde |
| iso | amyl isovalerate |
| iso | amyl salicylate |
| amyris wood oil | |
| angelica root oil | |
| benzyl acetate | |
| benzyl isobutyrate | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| citronellol | |
| citrus carbaldehyde | |
| clover nitrile | |
| coriander seed oil | |
| cyclamen aldehyde | |
| cyclohexyl ethyl alcohol | |
| diethyl malonate | |
| dihydromyrcenol | |
| dodecanal dimethyl acetal | |
| ethyl acetoacetate | |
| ethyl butyrate | |
| ethyl heptanoate | |
| eucalyptus oil | |
| floral pyranol | |
| galbanum oil | |
| gardenia oxide | |
| geraniol | |
| geranium oil | |
| geranyl acetate | |
| grapefruit oil | |
| grapefruit pentanol | |
| green acetate | |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl butyrate |
| (Z)-3- | hexen-1-yl formate |
| hexyl 2-methyl butyrate | |
| hexyl acetate | |
| hexyl isovalerate | |
| hexyl tiglate | |
| 2,4- | ivy carbaldehyde |
| lavender oil | |
| lemon oil | |
| lime oil | |
| linalool | |
| linalool oxide | |
| linalyl acetate | |
| melon heptenal | |
| melon nonenoate | |
| methyl heptenone | |
| nerol | |
| neroli oil | |
| neryl acetate | |
| nonanal | |
| nonanol | |
| nopyl acetate | |
| ocean propanal | |
| octanal | |
| orange oil | |
| orange oil bitter | |
| peony alcohol | |
| phenethyl acetate | |
| rhodinol | |
| rose absolute | |
| rose oxides | |
| spruce oil | |
| styralyl acetate | |
| alpha- | terpineol |
| alpha- | terpinyl acetate |
| tetrahydrolinalool | |
| verbena oil | |
| violet methyl carbonate | |
| woody acetate | |
| woody propanol | |
(odor and/or flavor) used in : | |
| abronia | |
| agrumen | |
| aldehydic | |
| angel | |
| apple | |
| apple blossom | |
| apple crabapple | |
| apple green apple | |
| apple red apple | |
| apricot | |
| banana | |
| bergamot | |
| berry | |
| blossom tropical blossom | |
| blueberry | |
| boysenberry | |
| calamus | |
| carnation dianthus oeillet | |
| cedrat | |
| cherry black cherry | |
| cherry blossom | |
| cherry wild cherry | |
| chestnut blossom | |
| chrysanthemum chrysantheme | |
| citronella | |
| citrus | |
| clary sage | |
| clover trefle le'trefle incarnat | |
| coconut tropical coconut | |
| cologne | |
| colonia | |
| coriander | |
| cortex | |
| crabapple blossom | |
| cranberry | |
| cucumber | |
| curacao | |
| cyclamen | |
| fern fougere | |
| floral | |
| florida breeze | |
| foliage | |
| forest | |
| freesia | |
| geranium | |
| gooseberry | |
| grape | |
| grapefruit | |
| grass green grass | |
| green | |
| greenhouse | |
| hay new mown hay foin coupe | |
| honey miel | |
| hydrangea | |
| ivy leaf | |
| jasmin | |
| kiwi blossom | |
| kumquat | |
| lavender | |
| leaf green leaf | |
| lemon | |
| lettuce | |
| lily | |
| linden blossom limeflower tilleul | |
| lychee soapberry | |
| magnolia | |
| mango | |
| mango blossom | |
| melissa balm | |
| mint | |
| muguet lily of the valley | |
| nectarine | |
| neroli | |
| ocean sea | |
| orange | |
| orange mock orange | |
| orchid | |
| papaya | |
| passion fruit | |
| peach | |
| pear | |
| pear prickly pear | |
| peony | |
| petal flower petal | |
| petitgrain | |
| plum | |
| pomegranate | |
| potpourri | |
| quince | |
| rain | |
| rain spring rain | |
| rhubarb | |
| rose | |
| rose moss rose | |
| rose red rose | |
| rose white rose | |
| rose wild rose | |
| strawberry | |
| strawberry leaf | |
| sweet pea pois de senteur | |
| tangerine | |
| tea | |
| tomato leaf | |
| tulip | |
| verbena verveine | |
| woodruff asperula | |
natural occurrence in : | |
| citronella oil | |
| geranium oil | |
| lemon oil | |