| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 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 |
| InChIKey : | VPKMGDRERYMTJX-UHFFFAOYAT |
| SMILES : | CCC(=O)\C=C\C1C(=CCCC1(C)C)C |
| (EINECS) number : | 215-635-0 |
| cas number : | 1335-46-2 |
| fl. number : | 07.218 |
| 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 : | 206.3238800 |
| formula : | C14 H22 O |
|
|
| |
| |
| export tariff code : | 2914.23.0000 |
| fda reg : | unspecified |
| |
Suppliers :
|
| Firmenich : | IRALIA®
≥95% |
| Firmenich : | IRALIA® TOTAL
≥90% |
| Givaudan : | Isoraldeine® 70
|
organoleptics :
|
| odor type : | floral |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | orris violet powdery woody |
| substantivity : | 184 hour(s) at 100.00 % |
properties :
|
| appearence : | yellow clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92400 to 0.93200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.689 to 7.755
|
| refractive index : | 1.49800 to 1.50300 @ 20.00 °C.
|
| logp : | 4.30 |
safety :
|
| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
|
| flash point ( Deg. F. ) : | not determined
|
| 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.)
|
| 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 | |
| | (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 N-methyl ionone) must not exceed 5% in the candle. |
safety links :
|
| |
| |
| (EINECS) number : | 215-635-0 |
| chemidplus : | 001335462 |
| EPA Substance Registry Services : | 1335-46-2 |
| NLM Chemical Carcinogenesis Research Information System : | 1335-46-2 |
| NLM Developmental and Reproductive Toxicity : | 1335-46-2 |
| NLM Env. Mutagen Info. Center : | 1335-46-2 |
| NLM GENetic TOXicology : | 1335-46-2 |
| EPI System : | view |
| IFRA : | IFRA - ( Found under : Pseudomethylionones ) |
other :
|
references :
|
| fl. number : | 07.218 |
| pubchem : | 774195 |
| NIST Chemistry WebBook : | 1074655180 |