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| IUPAC name : | hexyl 2-hydroxybenzoate |
| InChI : | InChI=1/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3 |
| InChIKey : | DUKPKQFHJQGTGU-UHFFFAOYAH |
| SMILES : | CCCCCCOC(=O)C1=CC=CC=C1O |
| (EINECS) number : | 228-408-6 |
| cas number : | 6259-76-3 |
| coe number : | 10695 |
| fl. number : | 09.581 |
| molar refractivity : | 63.07 ± 0.3 cm3 |
| parachor : | 526.0 ± 4.0 cm3 |
| index of refraction : | 1.517 ± 0.02 |
| surface tension : | 40.6 ± 3.0 dyne/cm |
| density : | 1.067 ± 0.06 g/cm3 |
| polarizability : | 25.00 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 222.2802200 |
| formula : | C13 H18 O3 |
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| export tariff code : | 2918.23.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | Hexyl salicylate |
| | >98% |
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organoleptics :
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| odor type : | herbal |
| odor strength : | low |
odor description : at 100.00 %. | fresh herbal orchid green |
| substantivity : | 40 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03200 - 1.04000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.587 to 8.654
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| specific gravity : | 1.03300 - 1.04100 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.606 to 8.672
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| refractive index : | 1.50200 - 1.50700 @ 20.00 °C.
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| boiling point : | 290.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.91 |
safety :
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| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °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 : | 1.00 % (1) | Category 2 : | 1.30 % |
| Category 3 : | 5.30 % | Category 4 : | 16.00 % |
| Category 5 : | 8.40 % | Category 6 : | 25.70 % (1) |
| Category 7 : | 2.70 % | 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 hexyl salicylate) must not exceed 5% in the candle. |
| recommendation for hexyl salicylate usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 228-408-6 |
| rtecs : | DH2207000 for 6259-76-3 |
| chemidplus : | 006259763 |
| epa-srs : | 6259-76-3 |
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other :
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references :
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| fl. number : | 09.581 |
| pubchem : | 165272 |
| NIST Chemistry WebBook : | 1878798673 |
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