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| IUPAC name : | 1-ethoxy-3-methylbut-2-ene |
| InChI : | InChI=1/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3 |
| InChIKey : | HPMSQLYFMOOLKS-UHFFFAOYAO |
| SMILES : | CCOCC=C(C)C |
| cas number : | 22094-00-4 |
| fema number : | 3777 |
| jecfa number : | 1232 |
| fl. number : | 03.019 |
| molar refractivity : | 36.12 ± 0.3 cm3 |
| parachor : | 313.7 ± 4.0 cm3 |
| index of refraction : | 1.416 ± 0.02 |
| surface tension : | 22.6 ± 3.0 dyne/cm |
| density : | 0.793 ± 0.06 g/cm3 |
| polarizability : | 14.32 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 114.1854600 |
| formula : | C7 H14 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Givaudan : | Prenyl ethyl ether
≥95%, NI, Kosher |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fruity grassy |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.79700 to 0.80200 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.632 to 6.673
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| refractive index : | 1.41600 to 1.42200 @ 20.00 °C.
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| boiling point : | 120.00 to 121.00 °C. @ 760.00 mm Hg
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| logp : | 2.35 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.73 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 2.00 (μg/capita/day) |
| flash point ( Deg. F. ) : | 32.00 °F. TCC ( 0.00 °C. )
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| recommendation for prenyl ethyl ether usage levels up to : |
| | 0.6000 % in the fragrance concentrate.
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| recommendation for prenyl ethyl ether usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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| | 1-ethoxy-3-methylbut-2-ene
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| chemidplus : | 022094004 |
| EPA Substance Registry Services : | 22094-00-4 |
| NLM Chemical Carcinogenesis Research Information System : | 22094-00-4 |
| NLM Developmental and Reproductive Toxicity : | 22094-00-4 |
| NLM Env. Mutagen Info. Center : | 22094-00-4 |
| NLM GENetic TOXicology : | 22094-00-4 |
references :
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| | 1-ethoxy-3-methylbut-2-ene
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| jecfa number : | 1232 |
| fl. number : | 03.019 |
| pubchem : | 204707 |
other :
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