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| IUPAC name : | [(Z)-hex-3-enyl] 3-methylbutanoate |
| InChI : | InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5- |
| InChIKey : | AIQLNKITFBJPFO-WAYWQWQTBH |
| SMILES : | CC\C=C/CCOC(=O)CC(C)C |
| (EINECS) number : | 252-404-3 |
| cas number : | 35154-45-1 |
| beilstein number : | 2433447 |
| fema number : | 3498 |
| fl. number : | 09.399 |
| molar refractivity : | 54.80 ± 0.3 cm3 |
| parachor : | 479.1 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 21.72 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| IUPAC name : | [(E)-hex-3-enyl] 3-methylbutanoate |
| InChI : | InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+ |
| InChIKey : | AIQLNKITFBJPFO-AATRIKPKBT |
| SMILES : | CC\C=C\CCOC(=O)CC(C)C |
| cas number : | 35154-45-1 |
| molar refractivity : | 54.80 ± 0.3 cm3 |
| parachor : | 479.1 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 21.72 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| IUPAC name : | hex-3-enyl 3-methylbutanoate |
| InChI : | InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3 |
| InChIKey : | AIQLNKITFBJPFO-UHFFFAOYAZ |
| SMILES : | CCC=CCCOC(=O)CC(C)C |
| (EINECS) number : | 233-104-1 |
| cas number : | 10032-11-8 |
| fema number : | 3498 |
| coe number : | 2344 |
| jecfa number : | 202 |
| fl. number : | 09.505 |
| molar refractivity : | 54.80 ± 0.3 cm3 |
| parachor : | 479.1 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 21.72 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green fruity floral dirty apple |
| taste description³ : | at 10.00 ppm.
Musty, green, fruity |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.87400 - 0.87600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.273 to 7.289
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| refractive index : | 1.42900 - 1.43500 @ 20.00 °C.
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| boiling point : | 98.00 °C. @ 15.00 mm Hg
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| boiling point : | 199.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 3.83 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >4900.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 140.00 °F. TCC ( 60.00 °C. )
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| recommendation for (Z)-3-hexen-1-yl isovalerate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for (Z)-3-hexen-1-yl isovalerate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 252-404-3 |
| rtecs : | NY1505000 for 35154-45-1 |
| chemidplus : | 035154451 |
| epa-srs : | 35154-45-1 |
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| chemidplus : | 35154-45-1 |
| epa-srs : | 35154-45-1 |
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| (EINECS) number : | 233-104-1 |
| chemidplus : | 010032118 |
| epa-srs : | 10032-11-8 |
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| other : | |
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| references : | |
| pubchem : | 178483 |
| NIST Chemistry WebBook : | 561788530 |
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| pubchem : | 35154-45-1 |
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| pubchem : | 197712 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |