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| IUPAC name : | 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde |
| InChI : | InChI=1/C14H22O/c1-12(2)6-4-7-13-8-5-9-14(3,10-13)11-15/h6,8,11H,4-5,7,9-10H2,1-3H3 |
| InChIKey : | MBVBLQFHVRGNLW-UHFFFAOYAJ |
| SMILES : | CC(=CCCC1=CCCC(C1)(C)C=O)C |
| (EINECS) number : | 257-941-7 |
| cas number : | 52474-60-9 |
| molar refractivity : | 66.25 ± 0.3 cm3 |
| parachor : | 534.1 ± 6.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.938 ± 0.06 g/cm3 |
| polarizability : | 26.26 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium |
odor description : at 100.00 %. | citrus ozone aldehydic grapefruit muguet |
| substantivity : | 104 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 : | 0.91400 - 0.92200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.605 to 7.672
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| specific gravity : | 0.91500 - 0.92300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.623 to 7.689
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| refractive index : | 1.48300 - 1.48800 @ 20.00 °C.
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| boiling point : | 279.00 - 280.00 °C. @ 760.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| logp : | 4.36 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for myrmac aldehyde usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for myrmac aldehyde usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 257-941-7 |
| chemidplus : | 052474609 |
| epa-srs : | 52474-60-9 |
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| other : | |
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| references : | |
| pubchem : | 681100 |
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