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| IUPAC name : | 2-methylpropyl 2-hydroxybenzoate |
| InChI : | InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3 |
| InChIKey : | PTXDBYSCVQQBNF-UHFFFAOYAG |
| SMILES : | CC(C)COC(=O)C1=CC=CC=C1O |
| (EINECS) number : | 201-729-9 |
| cas number : | 87-19-4 |
| beilstein number : | 2615955 |
| fema number : | 2213 |
| coe number : | 434 |
| jecfa number : | 902 |
| fl. number : | 09.750 |
| molar refractivity : | 53.76 ± 0.3 cm3 |
| parachor : | 443.8 ± 4.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 40.7 ± 3.0 dyne/cm |
| density : | 1.105 ± 0.06 g/cm3 |
| polarizability : | 21.31 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 194.2270600 |
| formula : | C11 H14 O3 |
| BioActivity Analysis : | 109432 |
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| fda reg : | 172.515 |
h. number : | 2918.23.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | clover herbal orchid floral |
| taste description³ : | at 3.00 ppm. Sweet, cooling, spicy with fruity nuances |
| substantivity : | 48 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.03600 - 1.06600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.621 to 8.870
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| refractive index : | 1.50800 - 1.51000 @ 20.00 °C.
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| melting point : | 5.90 - 6.00 °C. @ 760.00 mm Hg
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| boiling point : | 260.00 - 262.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.64 |
| 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) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1560.00 mg/kg FCTXAV 13,813,1975
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,813,1975
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| flash point ( Deg. F. ) : | 230.00 °F. TCC ( 110.00 °C. )
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| recommendation for isobutyl salicylate usage levels up to : |
| | 0.8000 % in the fragrance concentrate.
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| recommendation for isobutyl salicylate usage levels up to : |
| | 3.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 201-729-9 |
| rtecs : | VO4320000 for 87-19-4 |
| chemidplus : | 000087194 |
| epa-srs : | 87-19-4 |
| dtp/nci : | 62140 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 149877 |
| NIST Chemistry WebBook : | 3749711470 |
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| reference : | Mosciano, Gerard P&F 17, No. 4, 33, (1992)³ |