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| IUPAC name : | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| InChI : | InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11-,12+/m1/s1 |
| InChIKey : | JLPUXFOGCDVKGO-UTUOFQBUBI |
| SMILES : | C[C@@H]1CCC[C@@]2(C)CCCC[C@]12O |
| cas number : | 19700-21-1 |
| (EINECS) number : | 243-239-8 |
| coe number : | 10216 |
| fl. number : | 02.237 |
| molar refractivity : | 54.97 ± 0.3 cm3 |
| parachor : | 460.7 ± 4.0 cm3 |
| index of refraction : | 1.506 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 0.985 ± 0.06 g/cm3 |
| polarizability : | 21.79 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 182.3024800 |
| formula : | C12 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | earthy |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | fresh musty earthy soil |
properties :
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| appearence : | yellow clear liquid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 270.00 to 271.00 °C. @ 760.00 mm Hg
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| flash point : | 219.00 °F. TCC ( 103.89 °C. )
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| logP (o/w) : | 3.57 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for geosmin usage levels up to : | | | 0.0500 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
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| WGK Germany : | 1 |
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| | | |
| | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
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| (EINECS) number : | 243-239-8 |
| chemidplus : | 019700211 |
| EPA Substance Registry Services : | 19700-21-1 |
references :
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| | (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
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| fl. number : | 02.237 |
| NIST Chemistry WebBook : | 3033818384 |
| pubchem : | 172013 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (4S,4aS,8aR)-4,8a- | dimethyl decalin-4a-ol | | (4S,4aS,8aR)-4,8a- | dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol | | (4S-(4alpha,4aalpha,8abeta))- | octahydro-4,8a-dimethyl-4a(2H)-naphthol | | | octahydro-4,8alpha-dimethyl-4alpha(2H)-naphthalenol | | | octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol |
soluble in :
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| | alcohol | | | water, 157 mg/L @ 25C |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| 2- | acetyl-1-methyl pyrrole |
| 2- | acetyl-3-ethyl pyrazine |
| 1- | allyl-2,2,7,7-tetramethyl cycloheptanol |
| | amber oxepin |
| alpha- | ambrinol |
| | amyl formate |
| iso | amyl formate |
| | bean pyrazine |
| | benzyl disulfide |
| (E)- | benzyl tiglate |
| | berry furanone |
| dextro- | borneol |
| | bornyl formate |
| iso | bornyl formate |
| iso | butyl heptanoate |
| iso | butyl methyl ketone |
| | butyl propionate |
| iso | butyl quinoline |
| 2-sec- | butyl thiazole |
| 4- | butyl thiazole |
| T- | cadinol |
| 4- | carvomenthenol |
| | caryophyllene alcohol |
| alpha- | caryophyllene alcohol |
| beta- | caryophyllene alcohol |
| beta- | caryophyllene alcohol acetate |
| | celery undecene |
| | cinnamyl formate |
| | cortex pyridine |
| | cumin acetaldehyde |
| | cuminaldehyde |
| iso | cyclocitral |
| | cyperus root oil |
| (E)-2- | decen-1-al |
| 3- | decen-2-one |
| 1- | decen-3-ol |
| | dehydrolinalool |
| | dibenzyl ether |
| | dihydro-alpha-ionone |
| | dihydro-beta-ionone |
| | dihydrorose oxide |
| | dimethyl benzyl carbinyl butyrate |
| | dimethyl dihydrocyclopentapyrazine |
| 2-(1,1- | dimethyl ethyl)-4-methyl cyclohexanol |
| 2,3- | dimethyl quinoxaline |
| (E+Z)-4,8- | dimethyl-3,7-nonadien-2-yl acetate |
| | diphenyl disulfide |
| | dipropyl disulfide |
| | dodecanol |
| | earthy acetal |
| | earthy indane |
| | ethyl 4-pentenoate |
| 2- | ethyl fenchol |
| 2- | ethyl furan |
| 5- | ethyl-2-methyl pyridine |
| 2- | ethyl-3-methoxypyrazine |
| 2- | ethyl-4,5-dimethyl oxazole |
| alpha- | fenchol |
| dextro- | fenchone |
| | fennel seed oil |
| | fern absolute |
| | fig leaf absolute |
| | filbert pyrazine |
| | fir needle oil |
| | floral methanol |
| | galbanum oil |
| | geranium absolute |
| | geranium concrete |
| | geranium oil africa |
| | geranium oil egypt |
| | geranium oil moroccan |
| | germacrene B |
| | grapefruit oil terpeneless |
| | green pea pyrazine |
| delta- | heptalactone |
| | heptanal |
| | heptanal cyclic acetal with glycerol |
| | heptanal glyceryl acetal |
| | herbal cyclohexane |
| | herbal dioxane |
| | herbal ketone |
| | herbal norbornane |
| (E,E)-2,4- | hexadien-1-ol |
| (E)-3- | hexen-1-ol |
| (E)-4- | hexen-1-ol |
| (Z)-4- | hexen-1-ol |
| 3- | hexen-1-yl 2-methyl butyrate |
| (Z)-3- | hexen-1-yl isovalerate |
| (Z)-3- | hexen-1-yl tiglate |
| 6- | hydroxydihydrotheaspirane (mixture of isomers) |
| | hydroxymethyl hexyl ethyl ketone |
| | indoletal |
| | ivy leaf absolute |
| | leaf acetal |
| | lilac pentanol |
| | linalool oxide |
| (Z)- | linalool oxide (furanoid) |
| | linalyl formate |
| iso | longifolene ketone |
| | marine nitrile |
| | menthofuran |
| | methional |
| 2- | methoxy-3-propyl pyrazine |
| | methyl 10-undecenal |
| | methyl 2-hexenoate |
| | methyl 3-hexenoate |
| 2- | methyl anisole |
| 2- | methyl butyl isovalerate |
| | methyl cyclocitrone |
| | methyl furfuryl mercaptopropionate |
| | methyl hexyl ketone |
| 2- | methyl thio-3,5 or 6-methyl pyrazine |
| dextro,laevo-3-( | methyl thio) butanone |
| tris( | methyl thio) methane |
| 1-( | methyl thio)-2-butanone |
| | methyl undecylenate |
| 2- | methyl-3-buten-2-ol |
| (E)-6- | methyl-3-hepten-2-one |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| 2- | methyl-4-phenyl butanal |
| | muscogene |
| | nonanoic acid |
| 2- | nonanone |
| (Z)-3- | nonen-1-ol |
| 1- | nonen-3-ol |
| | nonisyl formate |
| | nutty pyrazine |
| | oakmoss absolute |
| (E)-1,5- | octadien-3-ol |
| (Z)-1,5- | octadien-3-ol |
| 1,5- | octadien-3-ol |
| 1,5- | octadien-3-one |
| 1,8- | octane dithiol |
| 2- | octanol |
| 3- | octanol |
| (E)-2- | octen-1-al |
| (Z)-4- | octen-1-ol |
| 3- | octen-1-yl acetate |
| 3- | octen-2-one |
| (3R)-1- | octen-3-ol |
| 1- | octen-3-ol |
| 1- | octen-3-one |
| 1- | octen-3-yl butyrate |
| (E)-2- | octenoic acid |
| | octyl 2-furoate |
| | octyl acetate |
| iso | octyl acetate |
| | octyl butyrate |
| | octyl isobutyrate |
| | orris hexanone |
| | patchouli indene |
| | patchouli oil |
| (E)-2- | penten-1-ol |
| 2- | pentyl cyclopentanone |
| 2- | pentyl furan |
| | perillaldehyde |
| | phenethyl butyl ether |
| | phenyl acetaldehyde 2,3-butylene glycol acetal |
| | phenyl acetaldehyde dimethyl acetal |
| 2- | phenyl propionaldehyde dimethyl acetal |
| 2- | phenyl propionaldehyde ethylene glycol acetal |
| 2- | phenyl propyl acetate |
| 1- | phenyl-2-pentanol |
| | pinacol |
| | potato butanone |
| 2- | propenyl-para-cymene |
| | propionaldehyde |
| | propyl 2-furoate |
| 4-iso | propyl quinoline |
| iso | propyl quinoline |
| 2- | propyl thiazole |
| | propylene glycol acetone ketal |
| iso | pulegol |
| | rose pyran |
| | seaweed absolute |
| | spathulenol |
| | styralyl butyrate |
| | tagete oil |
| beta- | terpineol |
| alpha- | thujene |
| | timber dioxolane |
| 2- | tridecanone |
| 3,5,5- | trimethyl hexanol |
| 2,3,5- | trimethyl pyrazine |
| | tropical indene |
| | tropical thiazole |
| | tropical trithiane |
| | turmeric oleoresin |
| | tyramine |
| | verymoss |
| | vetiver oil |
| | violet leaf absolute |
| | viridiflorol |
(odor and/or flavor) used in :
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| | earth humus | | | fern fougere | | | herbal | | | moss | | | ocean sea | | | ocean sea shore | | | patchouli | | | seaweed | | | terralia |
natural occurrence in :
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| algae blue-green algae |
| beet red beet |
| fungi |
| streptomyces spp. |
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