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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-(2,6,6-trimethyl-1-cyclohexenyl)but-2-en-1-one |
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3 |
| InChIKey : | BGTBFNDXYDYBEY-UHFFFAOYAI |
| SMILES : | CC=CC(=O)C1=C(CCCC1(C)C)C |
| cas number : | 35044-68-9 |
| fema number : | 3243 |
| molar refractivity : | 59.82 ± 0.3 cm3 |
| parachor : | 490.3 ± 6.0 cm3 |
| index of refraction : | 1.476 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.907 ± 0.06 g/cm3 |
| polarizability : | 23.71 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
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| IUPAC name : | (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)but-2-en-1-one |
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+ |
| InChIKey : | BGTBFNDXYDYBEY-FNORWQNLBE |
| SMILES : | C\C=C\C(=O)C1=C(CCCC1(C)C)C |
| (EINECS) number : | 245-842-1 |
| cas number : | 23726-91-2 |
| beilstein number : | 2046078 |
| fema number : | 3243 |
| coe number : | 2340 |
| fl. number : | 07.224 |
| molar refractivity : | 59.82 ± 0.3 cm3 |
| parachor : | 490.3 ± 6.0 cm3 |
| index of refraction : | 1.476 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.907 ± 0.06 g/cm3 |
| polarizability : | 23.71 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
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| IUPAC name : | (Z)-1-(2,6,6-trimethyl-1-cyclohexenyl)but-2-en-1-one |
| InChI : | InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5- |
| InChIKey : | BGTBFNDXYDYBEY-ALCCZGGFBK |
| SMILES : | C\C=C/C(=O)C1=C(CCCC1(C)C)C |
| (EINECS) number : | 245-843-7 |
| cas number : | 23726-92-3 |
| fema number : | 3243 |
| coe number : | 2340 |
| jecfa number : | 384 |
| fl. number : | 07.083 |
| molar refractivity : | 59.82 ± 0.3 cm3 |
| parachor : | 490.3 ± 6.0 cm3 |
| index of refraction : | 1.476 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.907 ± 0.06 g/cm3 |
| polarizability : | 23.71 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
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| fda reg : | unspecified |
h. number : | 2914.29.0000 |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | fruity floral blackcurrant plum rose honey tobacco |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92500 - 0.93200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.697 to 7.755
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| refractive index : | 1.49600 - 1.50000 @ 20.00 °C.
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| boiling point : | 200.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.40 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| IFRA critical Effect : | Sensitization |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.0200 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.0200 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 0.2000 % Restriction.
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| recommendation for beta-damascone usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for beta-damascone usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| chemidplus : | 35044-68-9 |
| epa-srs : | 35044-68-9 |
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| (EINECS) number : | 245-842-1 |
| rtecs : | EN0340000 for 23726-91-2 |
| chemidplus : | 023726912 |
| epa-srs : | 23726-91-2 |
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| (EINECS) number : | 245-843-7 |
| chemidplus : | 023726923 |
| epa-srs : | 23726-92-3 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 34674132 |
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| fl. number : | 07.224 |
| pubchem : | 174070 |
| NIST Chemistry WebBook : | 1424617864 |
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| jecfa number : | 384 |
| fl. number : | 07.083 |
| pubchem : | 667006 |
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