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| IUPAC name : | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| InChI : | InChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ |
| InChIKey : | CRDAMVZIKSXKFV-YFVJMOTDBO |
| SMILES : | CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C |
| cas number : | 106-28-5 |
| fema number : | 2478 |
| molar refractivity : | 72.77 ± 0.3 cm3 |
| parachor : | 595.8 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.875 ± 0.06 g/cm3 |
| polarizability : | 28.85 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| BioActivity Analysis : | 108589 |
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| export tariff code : | 2905.22.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Bedoukian Research : | (e,e)-FARNESOL
≥97.0% (sum of isomers), FCC, Kosher |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description : at 100.00 %. | mild muguet floral sweet lily waxy |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87900 @ 25.00 °C.
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| refractive index : | 1.49000 @ 20.00 °C.
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| boiling point : | 283.00 to 284.00 °C. @ 760.00 mm Hg
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| logp : | 5.31 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 6.00 gm/kg THERAP 27,893,1972
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 205.00 °F. TCC ( 96.11 °C. )
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| IFRA critical Effect : | Sensitization |
| 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 : | 0.08 % (1) | Category 2 : | 0.11 % |
| Category 3 : | 0.40 % | Category 4 : | 1.20 % |
| Category 5 : | 0.60 % | Category 6 : | 2.00 % (1) |
| Category 7 : | 0.20 % | 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 (E,E)-farnesol) must not exceed 5% in the candle. |
| recommendation for (E,E)-farnesol usage levels up to : |
| | 2.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
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| RTECS : | JR4979000 for 106-28-5 |
| chemidplus : | 000106285 |
| EPA Substance Registry Services : | 106-28-5 |
| NLM Chemical Carcinogenesis Research Information System : | 106-28-5 |
| NLM Developmental and Reproductive Toxicity : | 106-28-5 |
| NLM Env. Mutagen Info. Center : | 106-28-5 |
| NLM GENetic TOXicology : | 106-28-5 |
| dtp/nci : | 60597 |
references :
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| | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
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| pubchem : | 208109 |
| NIST Chemistry WebBook : | 1055903602 |
other :
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