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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one |
| InChI : | InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+ |
| InChIKey : | VPKMGDRERYMTJX-CMDGGOBGBY |
| SMILES : | CCC(=O)\C=C\C1C(=CCCC1(C)C)C |
| (EINECS) number : | 204-842-1 |
| cas number : | 127-42-4 |
| % from : | 50.00% to 60.00% |
| fema number : | 2711 |
| coe number : | 143 |
| jecfa number : | 398 |
| fl. number : | 07.009 |
| molar refractivity : | 66.34 ± 0.3 cm3 |
| parachor : | 532.1 ± 6.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 32.9 ± 3.0 dyne/cm |
| density : | 0.928 ± 0.06 g/cm3 |
| polarizability : | 26.29 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 194.3131800 |
| formula : | C13 H22 O |
| BioActivity Analysis : | 17389494 |
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| IUPAC name : | (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one |
| InChI : | InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey : | LMWNGLDCJDIIBR-CMDGGOBGBW |
| SMILES : | CCC(=O)\C=C\C1=C(CCCC1(C)C)C |
| (EINECS) number : | 264-140-6 |
| cas number : | 63429-28-7 |
| % from : | 12.00% to 16.00% |
| fema number : | 2712 |
| molar refractivity : | 66.33 ± 0.3 cm3 |
| parachor : | 530.4 ± 6.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.937 ± 0.06 g/cm3 |
| polarizability : | 26.29 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| IUPAC name : | (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one |
| InChI : | InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ |
| InChIKey : | JRJBVWJSTHECJK-PKNBQFBNBZ |
| SMILES : | CC1=CCCC(C1\C=C(/C)\C(=O)C)(C)C |
| (EINECS) number : | 204-846-3 |
| cas number : | 127-51-5 |
| % from : | 15.00% to 18.00% |
| fema number : | 2714 |
| coe number : | 169 |
| jecfa number : | 404 |
| fl. number : | 07.036 |
| molar refractivity : | 66.18 ± 0.3 cm3 |
| parachor : | 528.4 ± 6.0 cm3 |
| index of refraction : | 1.508 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.929 ± 0.06 g/cm3 |
| polarizability : | 26.23 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| IUPAC name : | (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one |
| InChI : | InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+ |
| InChIKey : | NSSHGPBKKVJJMM-PKNBQFBNBV |
| SMILES : | CC1=C(C(CCC1)(C)C)\C=C(/C)\C(=O)C |
| (EINECS) number : | 201-231-1 |
| cas number : | 79-89-0 |
| % from : | 0.10% to 5.00% |
| fema number : | 4151 |
| coe number : | 650 |
| fl. number : | 07.041 |
| molar refractivity : | 66.17 ± 0.3 cm3 |
| parachor : | 526.7 ± 6.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 32.8 ± 3.0 dyne/cm |
| density : | 0.937 ± 0.06 g/cm3 |
| polarizability : | 26.23± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| IUPAC name : | (4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one |
| InChI : | InChI=1/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3/b11-7+,13-10+ |
| InChIKey : | SPHLZZZXIWUZNM-JPTKLRQTBD |
| SMILES : | CCC(=O)\C=C\C=C(/C)\CCC=C(C)C |
| (EINECS) number : | 247-878-3 |
| cas number : | 26651-96-7 |
| % from : | 0.10% to 2.00% |
| molar refractivity : | 66.79 ± 0.3 cm3 |
| parachor : | 548.2 ± 4.0 cm3 |
| index of refraction : | 1.475 ± 0.02 |
| surface tension : | 28.5 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 26.48 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| fda reg : | unspecified |
h. number : | 2914.23.0000 |
| organoleptics : | |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | floral |
| substantivity : | 124 Hour(s) |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 50.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 238.00 °C. @ 760.00 mm Hg
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| boiling point : | 97.00 °C. @ 2.60 mm Hg
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| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 212.00 °F. TCC ( 100.00 °C. )
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| IFRA critical Effect : | Sensitization |
| IFRA other specification : | <= 2% Pseudomethylionone |
| Fragrance usage is RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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| Category 1 : | 2.00 % (1) | Category 2 : | 2.60 % |
| Category 3 : | 10.70 % | Category 4 : | 32.10 % |
| Category 5 : | 16.90 % | Category 6 : | 51.40 % (1) |
| Category 7 : | 5.40 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note | |
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| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product. For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case (E)-alpha-methyl ionone (50-60%)) must not exceed 5% in the candle. |
| recommendation for (E)-alpha-methyl ionone (50-60%) usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-842-1 |
| chemidplus : | 000127424 |
| epa-srs : | 127-42-4 |
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| (EINECS) number : | 264-140-6 |
| chemidplus : | 063429287 |
| epa-srs : | 63429-28-7 |
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| (EINECS) number : | 204-846-3 |
| chemidplus : | 000127515 |
| epa-srs : | 127-51-5 |
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| (EINECS) number : | 201-231-1 |
| chemidplus : | 000079890 |
| epa-srs : | 79-89-0 |
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| (EINECS) number : | 247-878-3 |
| chemidplus : | 26651-96-7 |
| epa-srs : | 26651-96-7 |
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| ifra : | ifra - ( Found under : Pseudomethylionones ) |
| other : | |
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| references : | |
| jecfa number : | 398 |
| fl. number : | 07.009 |
| pubchem : | 197307 |
| NIST Chemistry WebBook : | 1074655180 |
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| pubchem : | 3748531 |
| NIST Chemistry WebBook : | 2810320773 |
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| jecfa number : | 404 |
| fl. number : | 07.036 |
| pubchem : | 197309 |
| NIST Chemistry WebBook : | 2434520876 |
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| fl. number : | 07.041 |
| pubchem : | 675242 |
| NIST Chemistry WebBook : | 2309173677 |
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| pubchem : | 48419733 |
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