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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | hexyl benzoate |
| InChI : | InChI=1/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey : | UUGLJVMIFJNVFH-UHFFFAOYAO |
| SMILES : | CCCCCCOC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 229-856-5 |
| cas number : | 6789-88-4 |
| beilstein number : | 2048117 |
| fema number : | 3691 |
| coe number : | 645 |
| jecfa number : | 854 |
| fl. number : | 09.768 |
| molar refractivity : | 61.19 ± 0.3 cm3 |
| parachor : | 511.0 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 0.982 ± 0.06 g/cm3 |
| polarizability : | 24.25 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh balsam sappy clean woody |
| substantivity : | 192 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97200 - 0.97700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.088 to 8.130
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| refractive index : | 1.49100 - 1.49400 @ 20.00 °C.
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| boiling point : | 272.00 °C. @ 760.00 mm Hg
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| logp : | 4.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 12300.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 21.00 ml/kg
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| limits in the finished product for - "leave on the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "no skin contact" : |
| | 4.0000 % Recommendation.
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| recommendation for hexyl benzoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 229-856-5 |
| rtecs : | DH1490000 for 6789-88-4 |
| chemidplus : | 006789884 |
| epa-srs : | 6789-88-4 |
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| other : | |
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| references : | |
| jecfa number : | 854 |
| fl. number : | 09.768 |
| pubchem : | 165813 |
| NIST Chemistry WebBook : | 495897099 |
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