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| IUPAC name : | 2,4-dimethylpent-2-enoic acid |
| InChI : | InChI=1/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9) |
| InChIKey : | DMHLGGQHOSTMJG-UHFFFAOYAZ |
| SMILES : | CC(C)C=C(C)C(O)=O |
| cas number : | 66634-97-7 |
| fema number : | 3143 |
| coe number : | 744 |
| jecfa number : | 1211 |
| molar refractivity : | 35.90 ± 0.3 cm3 |
| parachor : | 313.2 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 31.2 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 14.23 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| IUPAC name : | (E)-2,4-dimethylpent-2-enoic acid |
| InChI : | InChI=1/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+/f/h8H |
| InChIKey : | DMHLGGQHOSTMJG-YCCZOKDHDL |
| SMILES : | CC(C)\C=C(/C)\C(=O)O |
| cas number : | 66634-97-7 |
| fema number : | 3143 |
| coe number : | 744 |
| jecfa number : | 1211 |
| molar refractivity : | 35.90 ± 0.3 cm3 |
| parachor : | 313.2 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 31.2 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 14.23 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | acidic |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | acidic fruity cheese honey |
| taste description³ : | at 25.00 ppm.
Tangy, acidic and cheesy with ripe, fruity and animal nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99100 - 0.99900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.246 to 8.313
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| refractive index : | 1.45900 - 1.46700 @ 20.00 °C.
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| boiling point : | 133.00 - 134.00 °C. @ 15.00 mm Hg
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| logp : | 2.23 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 254.00 °F. TCC ( 123.33 °C. )
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| recommendation for 2,4-dimethyl-2-pentenoic acid usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for 2,4-dimethyl-2-pentenoic acid usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 066634977 |
| epa-srs : | 66634-97-7 |
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| chemidplus : | 66634-97-7 |
| epa-srs : | 66634-97-7 |
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| other : | |
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| references : | |
| pubchem : | 199009 |
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| pubchem : | 39384542 |
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| reference : | Mosciano, Gerard P&F 21, No. 3, 51, (1996)³ |