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| IUPAC name : | phenylmethyl 2-hydroxybenzoate |
| InChI : | InChI=1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2 |
| InChIKey : | ZCTQGTTXIYCGGC-UHFFFAOYAC |
| SMILES : | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O |
| (EINECS) number : | 204-262-9 |
| cas number : | 118-58-1 |
| beilstein number : | 2115365 |
| fema number : | 2151 |
| coe number : | 436 |
| jecfa number : | 904 |
| fl. number : | 09.752 |
| molar refractivity : | 64.39 ± 0.3 cm3 |
| parachor : | 499.2 ± 4.0 cm3 |
| index of refraction : | 1.607 ± 0.02 |
| surface tension : | 51.4 ± 3.0 dyne/cm |
| density : | 1.224 ± 0.06 g/cm3 |
| polarizability : | 25.52 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 228.2432800 |
| formula : | C14 H12 O3 |
| BioActivity Analysis : | 72612 |
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| fda reg : | unspecified |
h. number : | 2918.23.0000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | low |
odor description : at 100.00 %. | balsam clean herbal oily sweet |
| substantivity : | 384 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear liquid to solid at low room temps |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.17300 - 1.18100 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.761 to 9.827
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| specific gravity : | 1.17400 - 1.18200 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.780 to 9.847
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| refractive index : | 1.57900 - 1.58300 @ 20.00 °C.
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| melting point : | 22.00 °C. @ 760.00 mm Hg
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| boiling point : | 208.00 °C. @ 26.00 mm Hg
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| boiling point : | 168.00 - 170.00 °C. @ 5.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.01 |
| shelf life : | 24.00 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) : |
Oral-Rat 2227.00 mg/kg FCTXAV 11,1029,1973
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 14150.00 mg/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 : | 0.50 % (1) | Category 2 : | 0.70 % |
| Category 3 : | 2.70 % | Category 4 : | 8.00 % |
| Category 5 : | 4.20 % | Category 6 : | 12.80 % (1) |
| Category 7 : | 1.30 % | 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 benzyl salicylate) must not exceed 5% in the candle. |
| recommendation for benzyl salicylate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 204-262-9 |
| rtecs : | VO1750000 for 118-58-1 |
| chemidplus : | 000118581 |
| epa-srs : | 118-58-1 |
| dtp/nci : | 6647 |
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| other : | |
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C of A
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| references : | |
| jecfa number : | 904 |
| fl. number : | 09.752 |
| pubchem : | 151509 |
| NIST Chemistry WebBook : | 739600749 |
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