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| IUPAC name : | butyl benzoate |
| InChI : | InChI=1/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey : | XSIFPSYPOVKYCO-UHFFFAOYAS |
| SMILES : | CCCCOC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 205-252-7 |
| cas number : | 136-60-7 |
| beilstein number : | 1867073 |
| coe number : | 740 |
| fl. number : | 09.779 |
| molar refractivity : | 51.92 ± 0.3 cm3 |
| parachor : | 431.4 ± 4.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 1.007 ± 0.06 g/cm3 |
| polarizability : | 20.58 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 178.2276600 |
| formula : | C11 H14 O2 |
| BioActivity Analysis : | 74169 |
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| fda reg : | unspecified |
h. number : | 2916.30 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | mild amber balsam fruity |
| properties : | |
| appearence : | colorless clear viscous liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00300 - 1.00900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.346 to 8.396
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| refractive index : | 1.49500 - 1.49900 @ 20.00 °C.
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| melting point : | -22.00 - -21.00 °C. @ 760.00 mm Hg
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| boiling point : | 127.00 °C. @ 20.00 mm Hg
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| boiling point : | 249.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.84 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3450.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 4.00 gm/kg
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| flash point ( Deg. F. ) : | 223.00 °F. TCC ( 106.11 °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" : |
| | 6.0000 % Recommendation.
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| recommendation for butyl benzoate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for butyl benzoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 205-252-7 |
| rtecs : | DG4925000 for 136-60-7 |
| chemidplus : | 000136607 |
| epa-srs : | 136-60-7 |
| dtp/nci : | 8474 |
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| other : | |
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| references : | |
| pubchem : | 151852 |
| NIST Chemistry WebBook : | 1550087812 |
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