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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde |
| InChI : | InChI=1/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3 |
| InChIKey : | ORMHZBNNECIKOH-UHFFFAOYAY |
| SMILES : | CC(C)(CCCC1=CCC(CC1)C=O)O |
| (EINECS) number : | 250-863-4 |
| cas number : | 31906-04-4 |
| beilstein number : | 2046455 |
| molar refractivity : | 63.23 ± 0.3 cm3 |
| parachor : | 525.2 ± 6.0 cm3 |
| index of refraction : | 1.527 ± 0.02 |
| surface tension : | 42.6 ± 3.0 dyne/cm |
| density : | 1.023 ± 0.06 g/cm3 |
| polarizability : | 25.06 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
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| fda reg : | unspecified |
h. number : | 2912.30.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral muguet cyclamen rhubarb woody |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear viscous liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98900 - 0.99700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.229 to 8.296
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| refractive index : | 1.48600 - 1.49300 @ 20.00 °C.
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| acid value : | 5.00 max. KOH/g
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| logp : | 2.53 |
| 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 : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3250.00 ul/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 11300.00 ul/kg
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| flash point ( Deg. F. ) : | 200.00 °F. TCC ( 93.33 °C. )
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| IFRA critical Effect : | Sensitization |
| limits in the finished product for - "leave on the skin contact" : |
| | 1.5000 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 1.5000 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 15.0000 % Restriction.
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| recommendation for leerall usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for leerall usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 250-863-4 |
| chemidplus : | 031906044 |
| epa-srs : | 31906-04-4 |
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| ifra : | ifra - ( Found under : HMPCC ) |
| other : | |
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C of A
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| references : | |
| pubchem : | 668391 |
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