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| IUPAC name : | [(Z)-hex-3-enyl] 2-hydroxybenzoate |
| InChI : | InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+ |
| InChIKey : | IEPWIPZLLIOZLU-ARJAWSKDBG |
| SMILES : | CC\C=C/CCOC(=O)C1=CC=CC=C1O |
| (EINECS) number : | 265-745-8 |
| cas number : | 65405-77-8 |
| coe number : | 10685 |
| fl. number : | 09.570 |
| molar refractivity : | 63.12 ± 0.3 cm3 |
| parachor : | 513.2 ± 4.0 cm3 |
| index of refraction : | 1.537 ± 0.02 |
| surface tension : | 41.7 ± 3.0 dyne/cm |
| density : | 1.090 ± 0.06 g/cm3 |
| polarizability : | 25.02 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 220.2643400 |
| formula : | C13 H16 O3 |
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| fda reg : | unspecified |
h. number : | 2918.23.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral green metallic herbal balsam |
| substantivity : | 216 Hour(s) |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05600 - 1.06400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.787 to 8.854
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| specific gravity : | 1.05700 - 1.06500 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.806 to 8.872
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| refractive index : | 1.51800 - 1.52200 @ 20.00 °C.
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| boiling point : | 145.00 °C. @ 5.00 mm Hg
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| boiling point : | 271.00 °C. @ 760.00 mm Hg
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| logp : | 4.36 |
| 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 5.00 gm/kg FCTXAV 17,373,1979
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 17,373,1979
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for (Z)-3-hexen-1-yl salicylate usage levels up to : |
| | 7.0000 % in the fragrance concentrate.
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| recommendation for (Z)-3-hexen-1-yl salicylate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 265-745-8 |
| chemidplus : | 65405-77-8 |
| epa-srs : | 65405-77-8 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 10531843 |
| NIST Chemistry WebBook : | 3306718206 |
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