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| IUPAC name : | 1,5,5-trimethylcyclohexene |
| InChI : | InChI=1/C9H16/c1-8-5-4-6-9(2,3)7-8/h5H,4,6-7H2,1-3H3 |
| InChIKey : | CHOOCIQDWNAXQQ-UHFFFAOYAJ |
| SMILES : | CC1=CCCC(C1)(C)C |
| (EINECS) number : | 271-464-1 |
| cas number : | 68555-95-3 |
| molar refractivity : | 41.29 ± 0.3 cm3 |
| parachor : | 341.0 ± 6.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 22.7 ± 3.0 dyne/cm |
| density : | 0.795 ± 0.06 g/cm3 |
| polarizability : | 16.37 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 124.2233400 |
| formula : | C9 H16 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | lime citrus lemon terpene |
| substantivity : | 8 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.78500 - 0.79500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.532 to 6.615
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| refractive index : | 1.43000 - 1.44500 @ 20.00 °C.
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| boiling point : | 32.00 °C. @ 30.00 mm Hg
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| logp : | 4.52 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 60.00 °F. TCC ( 15.56 °C. )
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| recommendation for trimethyl cyclohexene usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for trimethyl cyclohexene usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 271-464-1 |
| chemidplus : | 068555953 |
| epa-srs : | 68555-95-3 |
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| other : | |
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| references : | |
| pubchem : | 687830 |
| NIST Chemistry WebBook : | 1611031383 |
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