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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | phenylmethyl heptanoate |
| InChI : | InChI=1/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey : | UEDDAJQIHUEZCJ-UHFFFAOYAL |
| SMILES : | CCCCCCC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 226-705-5 |
| cas number : | 5454-21-7 |
| molar refractivity : | 65.37 ± 0.3 cm3 |
| parachor : | 547.3 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 0.980 ± 0.06 g/cm3 |
| polarizability : | 25.91 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 220.3074000 |
| formula : | C14 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | mild fruity apricot sage |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 @ 25.00 °C.
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| refractive index : | 1.49250 @ 25.00 °C.
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| boiling point : | 257.00 °C. @ 760.00 mm Hg
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| logp : | 4.59 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 224.00 °F. TCC ( 106.67 °C. )
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| recommendation for benzyl heptanoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for benzyl heptanoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 226-705-5 |
| chemidplus : | 005454217 |
| epa-srs : | 5454-21-7 |
| dtp/nci : | 23059 |
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| other : | |
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| references : | |
| pubchem : | 656558 |
| NIST Chemistry WebBook : | 2350768788 |
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