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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | hex-3-enal |
| InChI : | InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3 |
| InChIKey : | GXANMBISFKBPEX-UHFFFAOYAU |
| SMILES : | CCC=CCC=O |
| (EINECS) number : | 224-659-0 |
| cas number : | 4440-65-7 |
| fema number : | 3923 |
| coe number : | 5192 |
| jecfa number : | 1271 |
| fl. number : | 05.192 |
| molar refractivity : | 30.09 ± 0.3 cm3 |
| parachor : | 266.9 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 11.92 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 98.1430000 |
| formula : | C6 H10 O |
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| IUPAC name : | (E)-hex-3-enal |
| InChI : | InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+ |
| InChIKey : | GXANMBISFKBPEX-ONEGZZNKBB |
| SMILES : | CC\C=C\CC=O |
| (EINECS) number : | 273-874-6 |
| cas number : | 69112-21-6 |
| beilstein number : | 1720172 |
| fema number : | 3923 |
| fl. number : | 05.151 |
| molar refractivity : | 30.09 ± 0.3 cm3 |
| parachor : | 266.9 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 11.92 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 98.1430000 |
| formula : | C6 H10 O |
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| IUPAC name : | (Z)-hex-3-enal |
| InChI : | InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3- |
| InChIKey : | GXANMBISFKBPEX-ARJAWSKDBM |
| SMILES : | CC\C=C/CC=O |
| (EINECS) number : | 229-854-4 |
| cas number : | 6789-80-6 |
| beilstein number : | 1720171 |
| fema number : | 2561 |
| coe number : | 2008 |
| jecfa number : | 316 |
| fl. number : | 05.075 |
| molar refractivity : | 30.09 ± 0.3 cm3 |
| parachor : | 266.9 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 11.92 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 98.1430000 |
| formula : | C6 H10 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | natural green fruity apple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 126.00 - 127.00 °C. @ 760.00 mm Hg
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| logp : | 1.73 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 5.00 gm/kg
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| flash point ( Deg. F. ) : | 65.00 °F. TCC ( 18.33 °C. )
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| recommendation for (E)-3-hexen-1-al usage levels up to : |
| | 0.6000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 224-659-0 |
| chemidplus : | 004440657 |
| epa-srs : | 4440-65-7 |
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| (EINECS) number : | 273-874-6 |
| chemidplus : | 069112216 |
| epa-srs : | 69112-21-6 |
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| (EINECS) number : | 229-854-4 |
| rtecs : | MP5940000 for 6789-80-6 |
| chemidplus : | 006789806 |
| epa-srs : | 6789-80-6 |
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| other : | |
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| references : | |
| pubchem : | 684778 |
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| pubchem : | 188802 |
| NIST Chemistry WebBook : | 1371770745 |
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| pubchem : | 165812 |
| NIST Chemistry WebBook : | 884534059 |
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