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| IUPAC name : | 2-ethylidenehexanal |
| InChI : | InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3 |
| InChIKey : | RAPHJZMCZKGDSB-UHFFFAOYAH |
| SMILES : | O=C\C(=C/C)CCCC |
| cas number : | 25409-08-9 |
| (EINECS) number : | 246-950-1 |
| fema number : | 3392 |
| coe number : | 10324 |
| jecfa number : | 1214 |
| fl. number : | 05.105 |
| molar refractivity : | 39.19 ± 0.3 cm3 |
| parachor : | 342.7 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.833 ± 0.06 g/cm3 |
| polarizability : | 15.53 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| XlogP3-AA : | 2.40 |
| molecular weight : | 126.1961600 (IUPAC) |
| formula : | C8 H14 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (2E)-2-ethylidenehexanal |
| InChI : | InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+ |
| InChIKey : | RAPHJZMCZKGDSB-XBXARRHUBY |
| SMILES : | CCCC/C(=C\C)/C=O |
| cas number : | 25409-08-9 (E) |
| molar refractivity : | 39.19 ± 0.3 cm3 |
| parachor : | 342.7 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.833 ± 0.06 g/cm3 |
| polarizability : | 15.53 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| XlogP3-AA : | 2.40 |
| molecular weight : | 126.1961600 (IUPAC) |
| formula : | C8 H14 O |
| NMR Predictor : | Predict |
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| IUPAC name : | (2Z)-2-ethylidenehexanal |
| InChI : | InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4- |
| InChIKey : | RAPHJZMCZKGDSB-YWEYNIOJBK |
| SMILES : | CCCC/C(=C/C)/C=O |
| cas number : | 25409-08-9 (Z) |
| molar refractivity : | 39.19 ± 0.3 cm3 |
| parachor : | 342.7 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.833 ± 0.06 g/cm3 |
| polarizability : | 15.53 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| XlogP3-AA : | 2.40 |
| molecular weight : | 126.1961600 (IUPAC) |
| formula : | C8 H14 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | hexanal,2-ethylidene-
orders in chinese. |
organoleptics :
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| odor type : | roasted |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description:
at 10.00 % in dipropylene glycol. | cooked roasted |
taste description:
| sweet nutty |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.44900 to 1.45900 @ 20.00 °C.
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| pounds per gallon - calc. : | 12.071 to 12.154
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| refractive index : | 1.44700 to 1.45300 @ 20.00 °C.
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| boiling point : | 50.00 °C. @ 13.50 mm Hg
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| acid value : | 2.00 max. KOH/g
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| flash point : | 123.00 °F. TCC ( 50.56 °C. )
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| logP (o/w) : | 2.66 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for 2-butyl-2-butenal fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-butyl-2-butenal flavor usage levels up to : |
| | 2.0000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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2-ethylidenehexanal |
| (EINECS) number : | 246-950-1 |
| chemidplus : | 025409089 |
| EPA Substance Registry Services : | 25409-08-9 |
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(2E)-2-ethylidenehexanal |
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(2Z)-2-ethylidenehexanal |
references :
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2-ethylidenehexanal |
| fl. number : | 05.105 |
| jecfa number : | 1214 |
| pubchem : | 204819 |
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(2E)-2-ethylidenehexanal |
| pubchem : | 36751037 |
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(2Z)-2-ethylidenehexanal |
| pubchem : | 204819 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |