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| IUPAC name : | 3-(4-methylphenyl)propanal |
| InChI : | InChI=1/C10H12O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,2-3H2,1H3 |
| InChIKey : | ABGZWIFTZXUDGF-UHFFFAOYAD |
| SMILES : | CC1=CC=C(C=C1)CCC=O |
| cas number : | 5406-12-2 |
| (EINECS) number : | 226-460-4 |
| molar refractivity : | 45.44 ± 0.3 cm3 |
| parachor : | 370.1 ± 4.0 cm3 |
| index of refraction : | 1.508 ± 0.02 |
| surface tension : | 34.8 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 18.01 ± 0.5 10-24cm3 |
| XlogP : | 2.50 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
| BioActivity Analysis : | 71438 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | heliotrope lily lilac |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 222.00 to 223.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 2.58 |
safety :
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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 |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.2000 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.2000 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 2.0000 % Restriction.
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| recommendation for para-cresyl propionaldehyde usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for para-cresyl propionaldehyde usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : p-Methylhydrocinnamic aldehyde ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| | 3-(4-methylphenyl)propanal
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| (EINECS) number : | 226-460-4 |
| chemidplus : | 005406122 |
| EPA Substance Registry Services : | 5406-12-2 |
| dtp/nci : | 5304 |
references :
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| | 3-(4-methylphenyl)propanal
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| pubchem : | 206757 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |