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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)propanal |
| InChI : | InChI=1/C12H18O/c1-12(2)10-6-5-9(4-3-7-13)11(12)8-10/h5,7,10-11H,3-4,6,8H2,1-2H3 |
| InChIKey : | DDFGFKGJBOILQZ-UHFFFAOYAD |
| SMILES : | CC1(C2CC=C(C1C2)CCC=O)C |
| (EINECS) number : | 251-717-2 |
| cas number : | 33885-51-7 |
| molar refractivity : | 53.40 ± 0.3 cm3 |
| parachor : | 436.6 ± 6.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.956 ± 0.06 g/cm3 |
| polarizability : | 21.17 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 178.2707200 |
| formula : | C12 H18 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | medium |
odor description :
at 100.00 %. | strong fresh clean aldehydic pine |
| substantivity : | 84 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95100 - 0.95700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.913 to 7.963
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| specific gravity : | 0.95200 - 0.95800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.931 to 7.981
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| refractive index : | 1.48100 - 1.48600 @ 20.00 °C.
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| boiling point : | 243.00 - 244.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 3.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for pinoacetaldehyde usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for pinoacetaldehyde usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 251-717-2 |
| chemidplus : | 033885517 |
| epa-srs : | 33885-51-7 |
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| other : | |
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| references : | |
| pubchem : | 694821 |
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