| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||
| IUPAC name : | 3,7-dimethyloct-6-enenitrile | |||||||||||||||||||||||
| InChI : | InChI=1/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3 | |||||||||||||||||||||||
| InChIKey : | MTDAKBBUYMYKAR-UHFFFAOYAK | |||||||||||||||||||||||
| SMILES : | CC(CCC=C(C)C)CC#N | |||||||||||||||||||||||
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| fda reg : | unspecified | h. number : | 2926.90.5050 | |||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||
| odor type : | citrus | |||||||||||||||||||||||
| odor strength : | medium , recommend smelling in a 10.00 % solution or less | |||||||||||||||||||||||
| odor description : at 10.00 % in dipropylene glycol. | fresh lemon metallic citrus waxy floral | |||||||||||||||||||||||
| substantivity : | 16 hour(s) at 100.00 % | |||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||
| appearence : | colorless to pale yellow clear liquid | |||||||||||||||||||||||
| assay : | 92.00 - 100.00 % | |||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||||||||
| specific gravity : | 0.83500 - 0.85500 @ 25.00 °C. | |||||||||||||||||||||||
| pounds per gallon - calc. : | 6.948 to 7.114 | |||||||||||||||||||||||
| refractive index : | 1.44000 - 1.46000 @ 20.00 °C. | |||||||||||||||||||||||
| boiling point : | 110.00 - 111.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||
| logp : | 3.13 | |||||||||||||||||||||||
| 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 5300.00 mg/kg | |||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg | |||||||||||||||||||||||
| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. ) | |||||||||||||||||||||||
| recommendation for citronellyl nitrile usage levels up to : | ||||||||||||||||||||||||
| 10.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||
| recommendation for citronellyl nitrile usage levels up to : | ||||||||||||||||||||||||
| not for flavor use. | ||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||
| (EINECS) number : | 257-288-8 | |||||||||||||||||||||||
| chemidplus : | 051566622 | |||||||||||||||||||||||
| epa-srs : | 51566-62-2 | |||||||||||||||||||||||
| other : | ||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||
| pubchem : | 180991 | |||||||||||||||||||||||
| NIST Chemistry WebBook : | 3648522147 | |||||||||||||||||||||||
| synonyms : | |
| agrunitrile | |
| baranyl nitrile | |
| citronalva | |
| citronellyl nitrile | |
| citrylone | |
| 3,7- | dimethyl oct-6-ene nitrile |
| 3,7- | dimethyl-6-octene nitrile |
| 3,7- | dimethyl-6-octene-1-nitrile |
| vervonitrile | |
| soluble in : | |
| alcohol | |
| paraffin oil | |
| insoluble in : | |
| water | |
| stability : | |
| alcoholic fine fragrance, good | |
| alkalis | |
| antiperspirant, good | |
| deo stick, good | |
| detergent perborate, good | |
| fabric softener, good | |
| hard surface cleaner | |
| liquid detergent, good | |
| shampoo, good | |
| soap, good | |
| toiletry application, good | |
| (odor and/or flavor) blends with : | |
| acetophenone | |
| alpha- | amyl cinnamaldehyde |
| benzylidene acetone | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| cinnamaldehyde | |
| citronella oil | |
| citronellal | |
| citronellol | |
| citronellyl acetate | |
| citronellyl nitrile | |
| citrus carbaldehyde | |
| clary sage oil | |
| clove bud oil | |
| coriander seed oil | |
| cyclamen aldehyde | |
| gamma- | decalactone |
| decanal | |
| decanol | |
| (E)-4- | decen-1-al |
| dihydromyrcenol | |
| dihydroterpineol | |
| dimethyl anthranilate | |
| dimethyl cyclohexenyl pentenone | |
| diphenyl oxide | |
| dodecanal | |
| elemi resin | |
| iso | eugenol |
| geraniol | |
| geranyl acetate | |
| geranyl nitrile | |
| grapefruit oil | |
| grapefruit pentanol | |
| green dioxolane | |
| heliotropin | |
| alpha- | hexyl cinnamaldehyde |
| ionones | |
| 2,4- | ivy carbaldehyde |
| lavender absolute | |
| leerall | |
| lemon oil | |
| lemongrass oil | |
| lime oil | |
| laevo- | limonene |
| linalool | |
| laevo- | linalool |
| linalyl acetate | |
| litsea cubeba oil | |
| mandarin oil | |
| methyl heptenone | |
| muguet octadienol | |
| nerol | |
| octanal | |
| olibanum oil | |
| orange oil | |
| orange oil bitter | |
| petitgrain oil | |
| phellandrene | |
| phenethyl alcohol | |
| tangerine oil | |
| alpha- | terpineol |
| tetrahydrolinalool | |
| tetrahydromyrcenol | |
| gamma- | undecalactone |
| verbena oil | |
| (odor and/or flavor) used in : | |
| abronia | |
| agrumen | |
| aldehydic | |
| apple | |
| apple green apple | |
| apricot | |
| balsam | |
| basil | |
| bay | |
| bergamot | |
| blackberry | |
| blueberry | |
| bubblegum | |
| butterscotch | |
| cassie acacia farnesiana | |
| cedrat | |
| cherry | |
| citronella | |
| citrus | |
| coconut tropical coconut | |
| cologne | |
| colonia | |
| curacao | |
| eucalyptus | |
| fern fougere | |
| fir needle | |
| floral | |
| flower | |
| fresh | |
| gardenia | |
| geranium | |
| ginger | |
| grapefruit | |
| green | |
| herbal | |
| honeysuckle chevrefeuille | |
| hyacinth jacinthe | |
| jonquil narcissus jonquilla | |
| lavender | |
| lemon | |
| lemongrass | |
| lime | |
| linden blossom limeflower tilleul | |
| litsea cubeba | |
| mace | |
| magnolia | |
| mandarin | |
| melon watermelon muskmelon cantaloupe | |
| metallic | |
| neroli | |
| orange | |
| orange blossom fleur d'oranger | |
| passion fruit | |
| peach | |
| petitgrain | |
| petitgrain lemon petitgrain | |
| pineapple | |
| plum | |
| rain spring rain | |
| raspberry | |
| rhubarb | |
| rose | |
| rose red rose | |
| rose tea rose | |
| rose white rose | |
| sassafras | |
| strawberry | |
| tide | |
| vanilla | |
| verbena verveine | |
| waxy | |
| woody | |
| zibeline | |
| natural occurrence in : | |
| not found in nature | |