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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone |
| InChI : | InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3 |
| InChIKey : | FVUGZKDGWGKCFE-UHFFFAOYAO |
| SMILES : | CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C |
| (EINECS) number : | 259-174-3 |
| cas number : | 54464-57-2 |
| molar refractivity : | 71.60 ± 0.4 cm3 |
| parachor : | 587.7 ± 6.0 cm3 |
| index of refraction : | 1.493 ± 0.03 |
| surface tension : | 32.4 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 28.38 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 234.3770400 |
| formula : | C16 H26 O |
| BioActivity Analysis : | 17388966 |
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| IUPAC name : | 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone |
| InChI : | InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11,14H,6,8-10H2,1-5H3 |
| InChIKey : | YLWIXGWLTDBBHL-UHFFFAOYAG |
| SMILES : | CC1CC2=CCCC(C2CC1(C)C(=O)C)(C)C |
| (EINECS) number : | 268-979-9 |
| cas number : | 68155-67-9 |
| molar refractivity : | 71.80 ± 0.4 cm3 |
| parachor : | 589.4 ± 6.0 cm3 |
| index of refraction : | 1.493 ± 0.03 |
| surface tension : | 32.3 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 28.46 ± 0.5 10-24cm3 |
| xlogp : | 4.70 |
| molecular weight : | 234.3770400 |
| formula : | C16 H26 O |
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| IUPAC name : | 1-(1,2,3,5,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one |
| InChI : | InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h9,11,14H,6-8,10H2,1-5H3 |
| InChIKey : | NOMWSTMYQKABST-UHFFFAOYAL |
| SMILES : | CC1C=C2CCCC(C2CC1(C)C(=O)C)(C)C |
| (EINECS) number : | 268-978-3 |
| cas number : | 68155-66-8 |
| molar refractivity : | 71.80 ± 0.4 cm3 |
| parachor : | 589.4 ± 6.0 cm3 |
| index of refraction : | 1.493 ± 0.03 |
| surface tension : | 32.3 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 28.46 ± 0.5 10-24cm3 |
| xlogp : | 4.70 |
| molecular weight : | 234.3770400 |
| formula : | C16 H26 O |
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| IUPAC name : | 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one |
| InChI : | InChI=1/C16H26O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3 |
| InChIKey : | LCZYWDBISQLZSE-UHFFFAOYAF |
| SMILES : | CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C |
| (EINECS) number : | 259-175-9 |
| cas number : | 54464-59-4 |
| molar refractivity : | 71.60 ± 0.4 cm3 |
| parachor : | 587.7 ± 6.0 cm3 |
| index of refraction : | 1.493 ± 0.03 |
| surface tension : | 32.4 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 28.38 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 234.3770400 |
| formula : | C16 H26 O |
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| fda reg : | unspecified |
h. number : | 2914.29.5000 |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description :
at 100.00 %. | woody floral amber cedryl anisic |
| substantivity : | 172 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 90.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96000 - 0.96800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.988 to 8.055
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| specific gravity : | 0.96100 - 0.96900 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.006 to 8.072
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| refractive index : | 1.49700 - 1.50200 @ 20.00 °C.
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| logp : | 5.23 |
| 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. store under nitrogen. |
| safety : | |
| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| flash point ( Deg. F. ) : | 232.00 °F. TCC ( 111.11 °C. )
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| limits in the finished product for - "leave on the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "wash off the skin contact" : |
| | 5.0000 % Recommendation.
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| limits in the finished product for - "no skin contact" : |
| | 10.0000 % Recommendation.
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| recommendation for patchouli ethanone usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for patchouli ethanone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 259-174-3 |
| chemidplus : | 054464572 |
| epa-srs : | 54464-57-2 |
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| (EINECS) number : | 268-979-9 |
| chemidplus : | 068155679 |
| epa-srs : | 68155-67-9 |
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| (EINECS) number : | 268-978-3 |
| chemidplus : | 068155668 |
| epa-srs : | 68155-66-8 |
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| (EINECS) number : | 259-175-9 |
| chemidplus : | 054464594 |
| epa-srs : | 54464-59-4 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 85605 |
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| pubchem : | 686541 |
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| pubchem : | 686540 |
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| pubchem : | 685606 |
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