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| IUPAC name : | 4-methylbenzaldehyde |
| InChI : | InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 |
| InChIKey : | FXLOVSHXALFLKQ-UHFFFAOYAK |
| SMILES : | CC1=CC=C(C=C1)C=O |
| (EINECS) number : | 203-246-9 |
| cas number : | 104-87-0 |
| beilstein number : | 0385772 |
| fema number : | 3068 |
| coe number : | 115 |
| fl. number : | 05.029 |
| molar refractivity : | 37.83 ± 0.3 cm3 |
| parachor : | 289.9 ± 4.0 cm3 |
| index of refraction : | 1.557 ± 0.02 |
| surface tension : | 37.2 ± 3.0 dyne/cm |
| density : | 1.023 ± 0.06 g/cm3 |
| polarizability : | 14.99 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 120.1485200 |
| formula : | C8 H8 O |
| BioActivity Analysis : | 68908 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Fleurchem : | para-tolyl aldehyde |
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| Sigma-Aldrich-SAFC : | p-Tolualdehyde |
| | ≥97%, Kosher |
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organoleptics :
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| odor type : | fruity |
| odor strength : | high , recommend smelling in a 5.00 % solution or less |
odor description : at 5.00 % in dipropylene glycol. | fruity cherry deep phenolic |
| substantivity : | 120 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01200 - 1.01800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.421 to 8.471
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| refractive index : | 1.54200 - 1.54800 @ 20.00 °C.
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| optical rotation : | -2.00 to +1.00
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| melting point : | -6.00 °C. @ 760.00 mm Hg
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| boiling point : | 204.00 - 205.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 2.10 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
safety :
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| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1600.00 mg/kg NTIS** OTS0533443
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 2500.00 mg/kg NTIS** OTS0533443
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| flash point ( Deg. F. ) : | 176.00 °F. TCC ( 80.00 °C. )
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| recommendation for para-tolyl aldehyde usage levels up to : |
| | 0.8000 % in the fragrance concentrate.
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safety links :
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| msds : | msds |
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| (EINECS) number : | 203-246-9 |
| rtecs : | CU7034500 for 104-87-0 |
| chemidplus : | 000104870 |
| epa-srs : | 104-87-0 |
| dtp/nci : | 2224 |
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other :
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C of A  
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references :
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| fl. number : | 05.029 |
| pubchem : | 150815 |
| NIST Chemistry WebBook : | 3774970022 |
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