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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(4-methylphenoxy)acetaldehyde |
| InChI : | InChI=1/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3 |
| InChIKey : | KWNAUDMYKHHEOA-UHFFFAOYAJ |
| SMILES : | CC1=CC=C(C=C1)OCC=O |
| (EINECS) number : | 267-317-6 |
| cas number : | 67845-46-9 |
| molar refractivity : | 42.57 ± 0.3 cm3 |
| parachor : | 350.2 ± 4.0 cm3 |
| index of refraction : | 1.505 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 1.046 ± 0.06 g/cm3 |
| polarizability : | 16.87 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 150.1745000 |
| formula : | C9 H10 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | hay |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | powerful hay melon ozone floral |
properties :
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| appearence : | colorless clear liquid |
| assay : | 48.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98800 to 0.99400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.221 to 8.271
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| specific gravity : | 0.98900 to 0.99500 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.239 to 8.289
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| refractive index : | 1.46600 to 1.47200 @ 20.00 °C.
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| boiling point : | 242.00 to 243.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 1.92 |
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. ) : | 76.00 °F. TCC ( 24.44 °C. )
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| recommendation for para-methyl phenoxyacetaldehyde usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for para-methyl phenoxyacetaldehyde usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 267-317-6 |
| chemidplus : | 067845469 |
| EPA Substance Registry Services : | 67845-46-9 |
| NLM Chemical Carcinogenesis Research Information System : | 67845-46-9 |
| NLM Developmental and Reproductive Toxicity : | 67845-46-9 |
| NLM Env. Mutagen Info. Center : | 67845-46-9 |
| NLM GENetic TOXicology : | 67845-46-9 |
| EPI System : | view |
other :
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references :
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| pubchem : | 683170 |