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| IUPAC name : | methyl 2-(2-methylpentylideneamino)benzoate |
| InChI : | InChI=1/C14H19NO2/c1-4-7-11(2)10-15-13-9-6-5-8-12(13)14(16)17-3/h5-6,8-11H,4,7H2,1-3H3/b15-10+ |
| InChIKey : | DLMYZQZLWRLQNN-XNTDXEJSBH |
| SMILES : | CCCC(C)C=NC1=CC=CC=C1C(=O)OC |
| (EINECS) number : | 256-650-2 |
| cas number : | 50607-64-2 |
| molar refractivity : | 69.25 ± 0.5 cm3 |
| parachor : | 562.1 ± 8.0 cm3 |
| index of refraction : | 1.500 ± 0.05 |
| surface tension : | 32.5 ± 7.0 dyne/cm |
| density : | 0.99 ± 0.1 g/cm3 |
| polarizability : | 27.45 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 233.3061600 |
| formula : | C14 H19 N O2 |
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| export tariff code : | 2922.49.3800 |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet fruity citrus green grape |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04000 to 1.04700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.664 to 8.722
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| refractive index : | 1.58100 to 1.58400 @ 20.00 °C.
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| boiling point : | 350.00 to 351.00 °C. @ 760.00 mm Hg
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| logp : | 4.65 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for green carboxylate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for green carboxylate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | methyl 2-(2-methylpentylideneamino)benzoate
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| (EINECS) number : | 256-650-2 |
| chemidplus : | 050607642 |
| EPA Substance Registry Services : | 50607-64-2 |
| NLM Chemical Carcinogenesis Research Information System : | 50607-64-2 |
| NLM Developmental and Reproductive Toxicity : | 50607-64-2 |
| NLM Env. Mutagen Info. Center : | 50607-64-2 |
| NLM GENetic TOXicology : | 50607-64-2 |
references :
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| | methyl 2-(2-methylpentylideneamino)benzoate
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| pubchem : | 740118 |
other :
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