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| IUPAC name : | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| InChI : | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| InChIKey : | XMGQYMWWDOXHJM-UHFFFAOYAC |
| SMILES : | CC1=CCC(CC1)C(=C)C |
| (EINECS) number : | 227-813-5 |
| eu annex : | 601-029-00-7 |
| cas number : | 5989-27-5 |
| fema number : | 2633 |
| coe number : | 491 |
| jecfa number : | 1326 |
| fl. number : | 01.045 |
| molar refractivity : | 45.35 ± 0.3 cm3 |
| parachor : | 368.2 ± 4.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
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| IUPAC name : | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene |
| InChI : | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
| InChIKey : | XMGQYMWWDOXHJM-JTQLQIEIBU |
| SMILES : | CC1=CC[C@@H](CC1)C(=C)C |
| cas number : | 5989-27-5 |
| fema number : | 2633 |
| molar refractivity : | 45.35 ± 0.3 cm3 |
| parachor : | 368.2 ± 4.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| BioActivity Analysis : | 48413942 |
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| fda reg : | 182.60 |
h. number : | 2902.19.0050 |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium |
odor description :
at 100.00 %. | citrus citral fresh sweet |
| taste description³ : | at 30.00 ppm.
Sweet, orange, citrus and terpy |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.83800 - 0.84300 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.973 to 7.015
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| specific gravity : | 0.83700 - 0.84500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.965 to 7.031
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| refractive index : | 1.47100 - 1.47400 @ 20.00 °C.
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| optical rotation : | +87.00 to +102.00
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| melting point : | -96.00 °C. @ 760.00 mm Hg
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| boiling point : | 175.00 - 176.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 4.57 |
| shelf life : | 12.00 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 N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat 4400.00 mg/kg OYYAA2 9,387,1975
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,825,1975
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| flash point ( Deg. F. ) : | 117.00 °F. TCC ( 47.22 °C. )
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| IFRA other specification : | < 20 mmoles / L of peroxides |
| recommendation for dextro-limonene usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for dextro-limonene usage levels up to : |
| | 2300.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 227-813-5 |
| rtecs : | GW6360000 for 5989-27-5 |
| chemidplus : | 005989275 |
| epa-srs : | 5989-27-5 |
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| chemidplus : | 5989-27-5 |
| epa-srs : | 5989-27-5 |
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| ifra : | ifra - ( Found under : Limonene ) |
| other : | |
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C of A
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| references : | |
| jecfa number : | 1326 |
| fl. number : | 01.045 |
| pubchem : | 204090 |
| NIST Chemistry WebBook : | 1117605828 |
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| pubchem : | 48420928 |
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| reference : | Mosciano, Gerard P&F 19, No. 3, 51, (1994)³ |