Notes :
Fischetti (1980) described this material as having a “styrallyl acetate-like odour” and “green, raspberry, rhubarb taste”. Mosciano, et.al. Report that this material has a “sulfuraceous, onion/garlic with a green vegetable nuance” odor and a “green, raw vegetable-like with meaty nuances” taste at 15ppm. Primary use is in Fruit flavors although it probably also finds use in Vegetable and Condiment flavors. Camps (1985) indicates that this material is closest in odor profile to 2-methyl-4-propyl-1, 3-oxathiane (Fema: 3578) (although perhaps more green), which is considered to be a key organoleptic constituent of Yellow Passion Fruit.
Normal use levels in finished consumer product: 0.02~6ppm.
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. | ||||||||||||||||||||||||||||
| IUPAC name : | 2-methyl-4-propyl-1,3-oxathiane | |||||||||||||||||||||||||||
| InChI : | InChI=1/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3 | |||||||||||||||||||||||||||
| InChIKey : | GKGOLPMYJJXRGD-UHFFFAOYAU | |||||||||||||||||||||||||||
| SMILES : | CCCC1CCOC(S1)C | |||||||||||||||||||||||||||
|
| |||||||||||||||||||||||||||
| export tariff code : | unspecified | |||||||||||||||||||||||||||
| fda reg : | unspecified | |||||||||||||||||||||||||||
Suppliers : | ||||||||||||||||||||||||||||
| Berje : | 2-Methyl-4-Propyl 1,3 Oxathiane | |||||||||||||||||||||||||||
| Firmenich : | Oxane | |||||||||||||||||||||||||||
| Givaudan : | 2-Methyl-4-propyl-1,3-oxathiane
≥98%, NI, Kosher Odor: Grapefruit,Onion,Exotic fruity This chemical is used in fragrance and flavours. In the flavour area it is mainly used in passionfruit creations. This chemical performs well in exotic fruit formulations. | |||||||||||||||||||||||||||
| Treatt : | 2-Methyl-4-propyl-1,3-oxathiane
Odor: Strong, green, fruit notes | |||||||||||||||||||||||||||
| Vigon : | Oxane | |||||||||||||||||||||||||||
organoleptics : | ||||||||||||||||||||||||||||
| odor type : | sulfurous | |||||||||||||||||||||||||||
| odor strength : | medium , recommend smelling in a 1.00 % solution or less | |||||||||||||||||||||||||||
| odor description: at 1.00 % in dipropylene glycol. | sulfurous green galbanum fruity tropical pineapple Luebke, William tgsc, (1996) | |||||||||||||||||||||||||||
| odor sample from : | Firmenich & Company Inc. | |||||||||||||||||||||||||||
| substantivity : | 56 Hour(s) | |||||||||||||||||||||||||||
properties : | ||||||||||||||||||||||||||||
| appearence : | colorless to pale yellow clear liquid | |||||||||||||||||||||||||||
| assay : | 98.00 to 100.00 % | |||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||||||||||||
| specific gravity : | 0.97000 to 0.98200 @ 25.00 °C. | |||||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.071 to 8.171 | |||||||||||||||||||||||||||
| refractive index : | 1.47500 to 1.48500 @ 20.00 °C. | |||||||||||||||||||||||||||
| boiling point : | 218.00 to 220.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||
| acid value : | 5.00 max. KOH/g | |||||||||||||||||||||||||||
| vapor pressure : | 0.01000 mm/Hg @ 20.00 °C. | |||||||||||||||||||||||||||
| vapor density : | 5.5 ( Air = 1 ) | |||||||||||||||||||||||||||
| flash point : | 122.00 °F. TCC ( 50.00 °C. ) | |||||||||||||||||||||||||||
| logP (o/w) : | 2.31 | |||||||||||||||||||||||||||
safety : | ||||||||||||||||||||||||||||
| most important hazard(s) : | Xi - Irritant | |||||||||||||||||||||||||||
| Oral Toxicity(LD50) : | ||||||||||||||||||||||||||||
|
Oral-Rat 6000.00 mg/kg | ||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||||||||||||||||
| Not determined | ||||||||||||||||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||||||||||||||||
| Not determined | ||||||||||||||||||||||||||||
safety in use : | ||||||||||||||||||||||||||||
| Category : | flavor and fragrance agents | |||||||||||||||||||||||||||
| recommendation for (Z)-galbanum oxathiane fragrance usage levels up to : | ||||||||||||||||||||||||||||
| 0.1000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||
| recommendation for (Z)-galbanum oxathiane flavor usage levels up to : | ||||||||||||||||||||||||||||
| 6.0000 ppm in the flavor. | ||||||||||||||||||||||||||||
safety references : | ||||||||||||||||||||||||||||
| EPI System : | view | |||||||||||||||||||||||||||
| Canada Domestic Sub. List : | Yes | |||||||||||||||||||||||||||
| WISER : | UN 1993 | |||||||||||||||||||||||||||
2-methyl-4-propyl-1,3-oxathiane | ||||||||||||||||||||||||||||
| (EINECS) number : | 261-699-8 | |||||||||||||||||||||||||||
| chemidplus : | 067715804 | |||||||||||||||||||||||||||
| EPA Substance Registry Services : | 59323-76-1 | |||||||||||||||||||||||||||
references : | ||||||||||||||||||||||||||||
2-methyl-4-propyl-1,3-oxathiane | ||||||||||||||||||||||||||||
| pubchem : | 199034 | |||||||||||||||||||||||||||
Cosmetics : | ||||||||||||||||||||||||||||
| Cosmetic uses : |
perfuming agents | |||||||||||||||||||||||||||
other : | ||||||||||||||||||||||||||||
| CosIng : | cosmetic data | |||||||||||||||||||||||||||
| VCF-Online: | VCF Volatile Compounds in Food | |||||||||||||||||||||||||||
| synonyms : | ||
| (Z)- | galbanum oxathiane | |
| cis-2- | methyl-4-propyl-1,3-oxathiane | |
| (2R,4S)-rel-2- | methyl-4-propyl-1,3-oxathiane | |
| (Z)-2- | methyl-4-propyl-1,3-oxathiane | |
| 2- | methyl-4-propyl-1,3-oxathiane | |
| oxane | ||
| (Z)- | tropathiane | |
soluble in : | ||
| alcohol | ||
insoluble in : | ||
| water | ||
stability : | ||
| antiperspirant | ||
| cream | ||
| deodorant | ||
| detergent powder | ||
| shampoo | ||
| soap | ||
| talcum powder | ||
potential blenders : note | ||
| acetaldehyde ethyl phenethyl acetal | FL/FR | |
| algae absolute | FR | |
| allyl amyl glycolate | FR | |
| ambroxan | FL/FR | |
| iso | amyl benzoate | FL/FR |
| amyris wood oil | FL/FR | |
| animal carbolactone | FR | |
| anise seed oil | FL/FR | |
| para- | anisyl alcohol | FL/FR |
| basil oil | FL/FR | |
| bay leaf oil | FL/FR | |
| benzoin resinoid | FL/FR | |
| benzyl alcohol | FL/FR | |
| benzyl benzoate | FL/FR | |
| benzyl salicylate | FL/FR | |
| bois de rose oil | FL/FR | |
| camphor oil | FL/FR | |
| caraway seed oil | FL/FR | |
| carrot seed oil | FL/FR | |
| cedarleaf oil | FL/FR | |
| cedarwood oils | ||
| cinnamyl alcohol | FL/FR | |
| cistus oil | FL/FR | |
| citronellyl acetate | FL/FR | |
| citrus carbaldehyde | FR | |
| clary sage oil | FL/FR | |
| clover nitrile | FR | |
| cognac oil | FL/FR | |
| cortex pyridine | FL/FR | |
| costus root oil | FL | |
| costus valerolactone | FR | |
| para- | cresyl caprylate | FL/FR |
| cubeb oil | FL/FR | |
| cumin seed oil | FL/FR | |
| cuminaldehyde | FL/FR | |
| cyclamen aldehyde | FL/FR | |
| cyclohexyl ethyl alcohol | FL/FR | |
| gamma- | decalactone | FL/FR |
| decanal | FL/FR | |
| decyl acetate | FL/FR | |
| dihydromyrcenol | FL/FR | |
| dimethyl hydroquinone | FL/FR | |
| dodecanal | FL/FR | |
| dodecanol | FL/FR | |
| estragon | FL | |
| ethyl laurate | FL/FR | |
| fir balsam absolute | FR | |
| fir needle oil | FL/FR | |
| floral pyranol | FR | |
| flouve absolute | FR | |
| frankincense oil | FL/FR | |
| gardenia decalone | FR | |
| geranyl acetate | FL/FR | |
| (E)- | geranyl acetone | FL/FR |
| grapefruit pentanol | FR | |
| green acetate | FR | |
| heliotropyl diethyl acetal | FR | |
| (Z)-3- | hexen-1-yl benzoate | FL/FR |
| (Z)-3- | hexen-1-yl salicylate | FL/FR |
| hexyl 2-methyl butyrate | FL/FR | |
| alpha- | hexyl cinnamaldehyde | FL/FR |
| hexyl tiglate | FL/FR | |
| hyacinth ether | FR | |
| ionones | ||
| ivy absolute | FR | |
| 2,4- | ivy carbaldehyde | FL/FR |
| jascitile | ||
| juniper berry oil | FL/FR | |
| karo-karounde absolute | FR | |
| lavender absolute | FL/FR | |
| leaf acetal | FL/FR | |
| leerall | FR | |
| laevo- | linalool | FL/FR |
| linalool oxide | FL/FR | |
| lovage root oil | FL/FR | |
| melon heptenal | FL/FR | |
| melon nonenoate | FL/FR | |
| methyl dihydrojasmonate | FL/FR | |
| methyl heptine carbonate | FL/FR | |
| methyl ionones | ||
| methyl octine carbonate | FL/FR | |
| mimosa absolute | FL/FR | |
| muguet carboxaldehyde | FR | |
| muguet octadienol | FR | |
| musks | ||
| myrtenyl isobutyrate | ||
| narcissus absolute | FR | |
| neryl acetate | FL/FR | |
| (E,Z)-2,6- | nonadien-1-al | FL/FR |
| (E,Z)-2,6- | nonadien-1-ol | FL/FR |
| oakmoss absolute | FL/FR | |
| ocean propanal | FL/FR | |
| orris pyridine | FR | |
| patchouli ethanone | FR | |
| pepper oil black | FL/FR | |
| phenethyl acetate | FL/FR | |
| phenethyl salicylate | FL/FR | |
| phenyl acetaldehyde | FL/FR | |
| phenyl acetaldehyde dimethyl acetal | FL/FR | |
| phenyl acetic acid | FL/FR | |
| 3- | phenyl propionaldehyde | FL/FR |
| 3- | phenyl propyl alcohol | FL/FR |
| raspberry ketone methyl ether | FL/FR | |
| rose oxides | ||
| santall | FR | |
| spruce oil | FL/FR | |
| strawberry furanone | FL/FR | |
| styralyl acetate | FL/FR | |
| alpha- | terpineol | FL/FR |
| tobacco dodecane | FR | |
| tonka bean absolute | FR | |
| trimenal | FR | |
| gamma- | undecalactone | FL/FR |
| undecanol | FL/FR | |
| verymoss | FR | |
| vetiver oil | FL/FR | |
| violet methyl carbonate | FR | |
| watermelon ketone | FR | |
| waxy nitrile | FR | |
| woody acetate | FR | |
| woody amylene | FR | |
| woody propanol | FR | |
potential uses : | ||
| agrumen | ||
| aldehydic | ||
| amaryllis | ||
| amber | ||
| animal | ||
| apple | ||
| apple crabapple | ||
| ash mountain ash | ||
| balsam | ||
| bark | ||
| boxwood | ||
| boxwood blossom | ||
| boxwoodberry | ||
| briar sweet briar eglantine | ||
| cabochard | ||
| calamus | ||
| celery | ||
| chamomile | ||
| champaca champak | ||
| cherry wild cherry | ||
| chervil | ||
| cilantro | ||
| citrus | ||
| clematis | ||
| cloudberry bakeapple | ||
| cognac | ||
| cortex | ||
| cypress | ||
| daffodil narcissus | ||
| earth humus | ||
| evergreen | ||
| fagonia | ||
| fern fougere | ||
| fig | ||
| fir | ||
| fixer | ||
| foliage | ||
| forest | ||
| forest pine forest | ||
| fresh | ||
| fruit | ||
| fruit tropical fruit | ||
| galbanum | ||
| gardenia | ||
| geranium | ||
| ginger | ||
| grass green grass | ||
| grass sweet grass | ||
| green | ||
| hops houblon | ||
| hyacinth jacinthe | ||
| hydrangea | ||
| ivy leaf | ||
| jasmin | ||
| jonquil narcissus jonquilla | ||
| kewda | ||
| lavender | ||
| leaf autumn leaf | ||
| leaf green leaf | ||
| lemon | ||
| lime | ||
| lotus | ||
| mimosa wattle | ||
| moss | ||
| muguet lily of the valley | ||
| musk | ||
| narcissus narcisse | ||
| natural | ||
| nut | ||
| ocean sea | ||
| opoponax | ||
| orange | ||
| orange bitter orange | ||
| oregano | ||
| palmarosa | ||
| pansy | ||
| parsley | ||
| passion fruit | ||
| patchouli | ||
| pepper | ||
| pepper bell pepper | ||
| pine | ||
| pine needle | ||
| pizza | ||
| privet | ||
| privet blossom | ||
| rain spring rain | ||
| reseda mignonette | ||
| rhubarb | ||
| rose | ||
| rose geranium | ||
| sandalwood | ||
| seaweed | ||
| spruce | ||
| stem | ||
| strawberry leaf | ||
| tea green tea | ||
| tomato | ||
| tomato leaf | ||
| tropical | ||
| vegetable | ||
| verbena verveine | ||
| vetiver | ||
| vine | ||
| weedy | ||
| woody | ||
| wormwood absinthium | ||
| yew | ||
natural occurrence in : note | ||
| passion fruit | S | |
information only - not sold by The Good Scents Company.