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| IUPAC name : | 3-(prop-1-en-2-yl)pentanedioic acid |
| InChI : | InChI=1/C8H12O4/c1-5(2)6(3-7(9)10)4-8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12) |
| InChIKey : | PULOWZXUQOLRBK-UHFFFAOYAE |
| SMILES : | C=C(C)C(CC(O)=O)CC(O)=O |
| cas number : | 6839-75-4 |
| fema number : | 4352 |
| jecfa number : | 1620 |
| molar refractivity : | 41.76 ± 0.3 cm3 |
| parachor : | 376.5 ± 4.0 cm3 |
| index of refraction : | 1.487 ± 0.02 |
| surface tension : | 45.3 ± 3.0 dyne/cm |
| density : | 1.186 ± 0.06 g/cm3 |
| polarizability : | 16.55 ± 0.5 10-24cm3 |
| molecular weight : | 170.1626000 |
| formula : | C8 H10 O4 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | savory cooked roasted |
properties :
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| appearence : | white crystalline solid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 110.00 °C. @ 760.00 mm Hg
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| boiling point : | 297.00 to 299.00 °C. @ 760.00 mm Hg
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| logp : | 0.26 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 329.00 °F. TCC ( 165.00 °C. )
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| recommendation for 3-isopropenyl pentane dioic acid usage levels up to : |
| | not for fragrance use.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 23. |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 0.20000 | 1.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.10000 | 0.50000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 0.20000 | 1.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | 3-(prop-1-en-2-yl)pentanedioic acid
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| chemidplus : | 6839-75-4 |
| EPA Substance Registry Services : | 6839-75-4 |
| NLM Chemical Carcinogenesis Research Information System : | 6839-75-4 |
| NLM Developmental and Reproductive Toxicity : | 6839-75-4 |
| NLM Env. Mutagen Info. Center : | 6839-75-4 |
| NLM GENetic TOXicology : | 6839-75-4 |
references :
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| | 3-(prop-1-en-2-yl)pentanedioic acid
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| jecfa number : | 1620 |
| pubchem : | 6839-75-4 |
other :
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