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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate |
| InChI : | InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3 |
| InChIKey : | KYEZYLFPHRVFBF-UHFFFAOYAT |
| SMILES : | CCOC(=O)C1=C(C=CCC1(C)C)C |
| (EINECS) number : | 252-335-9 |
| cas number : | 35044-59-8 |
| molar refractivity : | 56.48 ± 0.3 cm3 |
| parachor : | 470.6 ± 6.0 cm3 |
| index of refraction : | 1.472 ± 0.02 |
| surface tension : | 29.7 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 22.39 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 194.2701200 |
| formula : | C12 H18 O2 |
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| IUPAC name : | ethyl 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carboxylate |
| InChI : | InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7,10H,2,5,8H2,1,3-4H3 |
| InChIKey : | DOVGPJULTGXWJT-UHFFFAOYAM |
| SMILES : | CCOC(=O)C1C(=C)C=CCC1(C)C |
| (EINECS) number : | 252-334-3 |
| cas number : | 35044-58-7 |
| molar refractivity : | 56.85 ± 0.4 cm3 |
| parachor : | 473.8 ± 6.0 cm3 |
| index of refraction : | 1.477 ± 0.03 |
| surface tension : | 30.9 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 22.53 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 194.2701200 |
| formula : | C12 H18 O2 |
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| IUPAC name : | ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate |
| InChI : | InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-8,10H,5H2,1-4H3 |
| InChIKey : | ZANQMOGWQBCGBN-UHFFFAOYAW |
| SMILES : | CCOC(=O)C1C(=CC=CC1(C)C)C |
| (EINECS) number : | 252-333-8 |
| cas number : | 35044-57-6 |
| molar refractivity : | 56.48 ± 0.3 cm3 |
| parachor : | 472.3 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.954 ± 0.06 g/cm3 |
| polarizability : | 22.39 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 194.2701200 |
| formula : | C12 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2918.23.9000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fresh natural damascon rose apple woody |
| substantivity : | 164 Hour(s) |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 94.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96200 - 0.97200 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.014 to 8.097
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| refractive index : | 1.47400 - 1.48000 @ 20.00 °C.
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| logp : | 4.24 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 185.00 °F. TCC ( 85.00 °C. )
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| recommendation for ethyl safranate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for ethyl safranate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 252-335-9 |
| chemidplus : | 035044598 |
| epa-srs : | 35044-59-8 |
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| (EINECS) number : | 252-334-3 |
| chemidplus : | 035044587 |
| epa-srs : | 35044-58-7 |
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| (EINECS) number : | 252-333-8 |
| chemidplus : | 035044576 |
| epa-srs : | 35044-57-6 |
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| other : | |
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| references : | |
| pubchem : | 694916 |
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| pubchem : | 694915 |
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| pubchem : | 694914 |
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