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| IUPAC name : | 4-propan-2-ylbenzaldehyde |
| InChI : | InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
| InChIKey : | WTWBUQJHJGUZCY-UHFFFAOYAP |
| SMILES : | CC(C)C1=CC=C(C=C1)C=O |
| (EINECS) number : | 204-516-9 |
| cas number : | 122-03-2 |
| beilstein number : | 0636547 |
| fema number : | 2341 |
| coe number : | 111 |
| jecfa number : | 868 |
| fl. number : | 05.022 |
| molar refractivity : | 47.19 ± 0.3 cm3 |
| parachor : | 367.3 ± 4.0 cm3 |
| index of refraction : | 1.536 ± 0.02 |
| surface tension : | 34.8 ± 3.0 dyne/cm |
| density : | 0.980 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
| BioActivity Analysis : | 71085 |
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| fda reg : | 172.515 |
h. number : | 2912.20 |
| organoleptics : | |
| odor type : | spicy |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | spicy cumin green herbal |
| taste description³ : | at 10.00 ppm. Spicy, cumin, green, herbal and vegetable-like |
| substantivity : | 32 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97600 - 0.98000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.121 to 8.155
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| refractive index : | 1.52900 - 1.53400 @ 20.00 °C.
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| boiling point : | 235.00 - 236.00 °C. @ 760.00 mm Hg
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| boiling point : | 128.00 - 129.00 °C. @ 30.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 3.17 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1390.00 mg/kg FCTXAV 2,327,1964
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 2800.00 mg/kg FCTXAV 12,395,1974
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| flash point ( Deg. F. ) : | 200.00 °F. TCC ( 93.33 °C. )
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| recommendation for cuminaldehyde usage levels up to : |
| | 0.8000 % in the fragrance concentrate.
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| recommendation for cuminaldehyde usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-516-9 |
| rtecs : | CU7000000 for 122-03-2 |
| chemidplus : | 000122032 |
| epa-srs : | 122-03-2 |
| dtp/nci : | 4886 |
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| other : | |
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| references : | |
| pubchem : | 151664 |
| NIST Chemistry WebBook : | 1376662748 |
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| reference : | Mosciano, Gerard P&F 15, No. 2, 69, (1990)³ |