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| IUPAC name : | (E)-3-phenylprop-2-enal |
| InChI : | InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
| InChIKey : | KJPRLNWUNMBNBZ-QPJJXVBHBH |
| SMILES : | C1=CC=C(C=C1)\C=C\C=O |
| cas number : | 14371-10-9 |
| beilstein number : | 1071571 |
| molar refractivity : | 42.32 ± 0.3 cm3 |
| parachor : | 319.1 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 16.78 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| molecular weight : | 132.1592200 |
| formula : | C9 H8 O |
| BioActivity Analysis : | 48413467 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | spicy |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet spice candy cinnamon red hots warm |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04800 @ 25.00 °C.
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| refractive index : | 1.62200 @ 20.00 °C.
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| boiling point : | 248.00 °C. @ 760.00 mm Hg
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| flash point : | 160.00 °F. TCC ( 71.11 °C. )
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| logP (o/w) : | 1.82 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 21/41 - Harmful in contact with skin, risk of serious damage to eyes. R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| IFRA critical Effect : | Sensitization |
| IFRA fragrance material specification : |
| | The concentration of Cinnamic aldehyde in the finished cosmetic
product should not exceed 0.1%. |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.0500 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.0500 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 5.0000 % Recommendation.
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| recommendation for (E)-cinnamaldehyde usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for (E)-cinnamaldehyde usage levels up to : |
| | 60.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Cinnamic aldehyde ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
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| | (E)-3-phenylprop-2-enal
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| chemidplus : | 014371109 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 14371-10-9 |
| dtp/nci : | 40346 |
references :
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| | (E)-3-phenylprop-2-enal
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| NIST Chemistry WebBook : | 3418959169 |
| pubchem : | 169354 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |