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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| InChI : | InChI=1/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15u,16-,18+,19+,20-/m1/s1 |
| InChIKey : | XVULBTBTFGYVRC-FFADBYAMBG |
| SMILES : | CC1(CCC[C@]2(C1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)C)C |
| (EINECS) number : | 208-194-0 |
| cas number : | 515-03-7 |
| beilstein number : | 2054148 |
| fema number : | 4502 |
| coe number : | 10311 |
| fl. number : | 02.206 |
| molar refractivity : | 93.38 ± 0.3 cm3 |
| parachor : | 789.1 ± 4.0 cm3 |
| index of refraction : | 1.489 ± 0.02 |
| surface tension : | 35.5 ± 3.0 dyne/cm |
| density : | 0.954 ± 0.06 g/cm3 |
| polarizability : | 37.02 ± 0.5 10-24cm3 |
| xlogp : | 6.00 |
| molecular weight : | 308.4986400 |
| formula : | C20 H36 O2 |
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| IUPAC name : | (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| InChI : | InChI=1/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1 |
| InChIKey : | XVULBTBTFGYVRC-HHUCQEJWBX |
| SMILES : | CC1(CCC[C@]2([C@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)C)C |
| cas number : | 515-03-7 |
| fema number : | 4502 |
| molar refractivity : | 93.38 ± 0.3 cm3 |
| parachor : | 789.1 ± 4.0 cm3 |
| index of refraction : | 1.489 ± 0.02 |
| surface tension : | 35.5 ± 3.0 dyne/cm |
| density : | 0.954 ± 0.06 g/cm3 |
| polarizability : | 37.02 ± 0.5 10-24cm3 |
| xlogp : | 6.00 |
| molecular weight : | 308.4986400 |
| formula : | C20 H36 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | low |
odor description :
at 100.00 %. | sweet balsam clary amber woody |
| substantivity : | 292 Hour(s) |
| properties : | |
| appearence : | amber solid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 95.00 - 100.00 °C. @ 760.00 mm Hg
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| boiling point : | 218.00 - 220.00 °C. @ 19.00 mm Hg
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| logp : | 5.54 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | not determined
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| IFRA critical Effect : | Sensitization |
| IFRA purity specification : | 98% minimum purity |
| recommendation for sclareol usage levels up to : | | | 4.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 208-194-0 |
| rtecs : | QK0301900 for 515-03-7 |
| chemidplus : | 000515037 |
| epa-srs : | 515-03-7 |
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| chemidplus : | 515-03-7 |
| epa-srs : | 515-03-7 |
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| ifra : | ifra - ( Found under : Sclareol ) |
| other : | |
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| references : | |
| pubchem : | 215357 |
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| pubchem : | 619393 |
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| synonyms : |
| alpha- | ethenyl decahydro-2-hydroxy-a,2,5,5,8a-pentamethyl(1R-(1alpha(R*),2beta,4abeta,8H | | (1theta-(1alpha(theta),2beta,4abeta,8aalpha))-alpha- | ethenyl decahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-1-naphthalene propanol | | (1R-(1alpha(R*),2beta,4abeta,8aalpha))-2- | hydroxy-alpha,2,5,5,8a-pentamethyl-alpha-vinyl decahydronaphthalene-1-propan-1-ol | | (13R)- | labd-14-ene-8,13-diol | | | sclareol |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetoxymethyl isolongifolene |
| | amber butanol |
| | amber carane |
| | amber cyclohexanol |
| | amber decane |
| | amber decatriene |
| | amber dioxane |
| | amber formate |
| | amber furan |
| | amber naphthofuran |
| | amber oxepin |
| | amber pentadecane |
| | amber spirolene |
| | ambergris naphthol |
| | ambrene acetal |
| | ambrette seed absolute |
| | ambrinol |
| | ambroxan |
| | animal carbolactone |
| 4-tert- | butyl cyclohexane carboxaldehyde |
| beta- | caryophyllene alcohol acetate |
| | cedarwood oil texas |
| alpha- | cedrene epoxide |
| | cedrenyl acetate |
| | cedrol methyl ether |
| | cedryl acetate |
| | cistus oil |
| | civet decenone |
| | clary acetate |
| | clary octenone |
| | clary propyl acetate |
| | clary sage oil |
| | clary sage resin |
| | cyclohexadecanone |
| | cyclohexyl crotonate |
| | decanal / methyl anthranilate schiff's base |
| | dihydro-beta-ionone |
| | elecampane root oil |
| | formoxymethyl isolongifolene |
| | grapefruit oil |
| | heliotropin |
| | hydroxymethyl isolongifolene 50% in dpg |
| | juniper lactone |
| | labdanum absolute resinoid |
| | mastic absolute |
| | methyl alpha-ionone |
| | musk methyl ketone |
| | orange oil bitter |
| omega- | pentadecalactone |
| | sclarene |
| | sclareolide |
| | tetradecanal |
| | timber dioxolane |
| | timber propanol |
| | tobacco butenal |
| | tobacco dodecane |
| | tobacco leaf absolute |
| | tobacco nonene |
| | treemoss absolute |
| | valencene |
| | verymoss |
| | woody carboxylate |
| | woody cyclohexanone |
| | woody dioxolane |
| | woody epoxide |
| | woody ether |
| | woody nonane |
| | woody propanol |
| (odor and/or flavor) used in : |
| | amber | | | balsam | | | clary sage | | | oriental | | | woody |
| natural occurrence in : |
| data page | clary sage oil france @ 0.10-0.20% |
| data page | clary sage oil greece @ 5.20% |
| data page | clary sage oil spain @ 0.45% |
| data page | salvia atropatana bunge oil iran @ 13.30% |
| salvia sclarea l. |
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