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| IUPAC name : | (Z)-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-DAXSKMNVBC |
| SMILES : | C1=CC=C(C=C1)\C=C/C=O |
| cas number : | 57194-69-1 |
| 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 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | spicy cinnamaon |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 245.00 to 246.00 °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) : | 2.12 |
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%. |
| Fragrance usage is RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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| Category 1 : | 0.05 % (1) | Category 2 : | 0.05 % |
| Category 3 : | 0.05 % | Category 4 : | 0.05 % |
| Category 5 : | 0.05 % | Category 6 : | 0.05 % (1) |
| Category 7 : | 0.05 % | Category 8 : | 0.05 % |
| Category 9 : | 0.05 % | Category 10 : | 0.05 % |
| Category 11 : | See Note | |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product. For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case (Z)-cinnamaldehyde) must not exceed 5% in the candle. |
safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Cinnamic aldehyde ) |
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| WGK Germany : | 3 |
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| | (Z)-3-phenylprop-2-enal
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| chemidplus : | 057194691 |
| EPA Substance Registry Services : | 57194-69-1 |
references :
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| | (Z)-3-phenylprop-2-enal
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| NIST Chemistry WebBook : | 19583838 |
| pubchem : | 757838 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |