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| IUPAC name : | methyl hexa-2,4-dienoate |
| InChI : | InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3 |
| InChIKey : | KWKVAGQCDSHWFK-UHFFFAOYAP |
| SMILES : | CC=CC=CC(=O)OC |
| (EINECS) number : | 216-160-1 |
| cas number : | 1515-80-6 |
| fema number : | 3714 |
| molar refractivity : | 36.36 ± 0.3 cm3 |
| parachor : | 309.8 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 27.9 ± 3.0 dyne/cm |
| density : | 0.935 ± 0.06 g/cm3 |
| polarizability : | 14.41 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 126.1531000 |
| formula : | C7 H10 O2 |
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| IUPAC name : | methyl (2E,4E)-hexa-2,4-dienoate |
| InChI : | InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ |
| InChIKey : | KWKVAGQCDSHWFK-VNKDHWASBQ |
| SMILES : | C\C=C\C=C\C(=O)OC |
| (EINECS) number : | 211-712-8 |
| cas number : | 689-89-4 |
| fema number : | 3714 |
| jecfa number : | 1177 |
| fl. number : | 09.300 |
| molar refractivity : | 36.36 ± 0.3 cm3 |
| parachor : | 309.8 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 27.9 ± 3.0 dyne/cm |
| density : | 0.935 ± 0.06 g/cm3 |
| polarizability : | 14.41 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 126.1531000 |
| formula : | C7 H10 O2 |
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| fda reg : | unspecified |
h. number : | 2916.19.4000 |
| organoleptics : | |
| odor type : | anisic |
| odor strength : | medium |
odor description :
at 100.00 %. | pungent fruity licorice |
| taste description³ : | at 20.00 ppm.
Fruity, sweet, brown, vanilla and nutty |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96800 @ 25.00 °C.
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| melting point : | 12.00 - 15.00 °C. @ 760.00 mm Hg
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| boiling point : | 180.00 °C. @ 760.00 mm Hg
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| logp : | 1.86 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 158.00 °F. TCC ( 70.00 °C. )
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| recommendation for methyl sorbate usage levels up to : | | | 8.0000 % in the fragrance concentrate.
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| recommendation for methyl sorbate usage levels up to : | | | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 216-160-1 |
| chemidplus : | 001515806 |
| epa-srs : | 1515-80-6 |
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| (EINECS) number : | 211-712-8 |
| chemidplus : | 000689894 |
| epa-srs : | 689-89-4 |
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| other : | |
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| references : | |
| pubchem : | 657286 |
| NIST Chemistry WebBook : | 2983355310 |
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| pubchem : | 197458 |
| NIST Chemistry WebBook : | 1558222297 |
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| reference : | Mosciano, Gerard P&F 18, No. 2, 38, (1993)³ |
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| synonyms : |
| (E,E)-2,4- | hexadienoic acid methyl ester | | | methyl (2E,4E)-hexadienoate | | | methyl (E,E)-2,4-hexadienoate | | | methyl (E,E)-hexa-2,4-dienoate | | | methyl (E),(E)-2,4-hexadienoate | | | methyl sorbate | | (E,E)- | methyl sorbate | | 2-trans,4-trans- | methyl sorbate | | (E,E)- | sorbic acid methyl ester |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | anise | | | licorice | | | prune | | | raisin | | | tobacco tabac tabaco | | | vanilla |
| natural occurrence in : |
| found in nature |
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