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| IUPAC name : | butanoic acid |
| InChI : | InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey : | FERIUCNNQQJTOY-UHFFFAOYAP |
| SMILES : | CCCC(=O)O |
| cas number : | 107-92-6 |
| (EINECS) number : | 203-532-3 |
| eu annex : | 607-135-00-x |
| beilstein number : | 0906770 |
| fema number : | 2221 |
| coe number : | 5 |
| jecfa number : | 87 |
| fl. number : | 08.005 |
| molar refractivity : | 22.14 ± 0.3 cm3 |
| parachor : | 213.0 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 32.5 ± 3.0 dyne/cm |
| density : | 0.987 ± 0.06 g/cm3 |
| polarizability : | 8.77 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| XlogP3 : | 0.80 |
| molecular weight : | 88.1051200 (IUPAC) |
| formula : | C4 H8 O2 |
| BioActivity Analysis : | 74110 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | 182.60 |
Suppliers :
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| Advanced Biotech : | butyric acid
98% min. natural |
| Berje : | N-Butyric Acid
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| Berje : | N-Butyric Acid
Natural |
| Cargill - Alfrebro : | BUTYRIC ACID
natural, Kosher |
| Citrus and Allied Essences : | butyric acid
FCC (natural) |
| Elan : | butyric acid
(natural), Kosher |
| Fleurchem : | butyric acid
natural |
| Fleurchem : | butyric acid
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| Fontarome : | BUTYRIC ACID
Odor: Persistent, penetrating, rancid, butter-like |
| Frutarom : | BUTYRIC ACID
≥99.00%, NI, Kosher Odor: Butter, Cheese, Dairy, Rancid, Sharp |
| Frutarom : | NATURAL BUTYRIC ACID
≥99.00%, natural, Kosher Odor: Butter, Cheese, Dairy, Rancid, Sharp |
| IFF : | Butyric Acid
≥99.00%, natural, Kosher Odor: penetrating, unpleasant odor |
| Inoue : | BUTYRIC ACID
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| John D. Walsh : | Butyric Acid
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| Mane : | butyric acid
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| Moellhausen : | butyric acid
98% min. natural kosher Odor: acidic, caprylic, cheesy note. Flavor: sour, acidic, fruity, cheesy and buttery note. |
| Moellhausen : | butyric acid
99% min. nature identical kosher Odor: acidic, caprylic, cheesy note. Flavor: sour, acidic, fruity, cheesy and buttery note. |
| Mooreganics : | Butyric Acid
Natural (Organic Compliant) |
| Penta : | butanoic acid
|
| Penta : | butyric acid
natural |
| Robertet : | Butyric acid
naturel |
| Sigma-Aldrich-SAFC : | Butyric acid
≥99%, Kosher |
| Sigma-Aldrich-SAFC : | Butyric acid
≥99%, natural, FCC, Kosher, FG |
| Vigon : | Butyric Acid
Natural Odor: STRONG, RANCID, BUTTER-LIKE |
| Vigon : | Butyric Acid
FCC Odor: STRONG, RANCID, BUTTER-LIKE |
organoleptics :
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| odor type : | cheesy |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | sharp acetic cheese butter fruit |
| odor sample from : | Berje Inc. |
| substantivity : | 24 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85200 to 0.95600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.089 to 7.955
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| refractive index : | 1.39700 to 1.39900 @ 20.00 °C.
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| melting point : | -7.00 to -5.00 °C. @ 760.00 mm Hg
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| boiling point : | 162.00 to 164.00 °C. @ 760.00 mm Hg
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| boiling point : | 90.00 to 91.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 1.65000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.04 ( Air = 1 ) |
| flash point : | 167.00 °F. TCC ( 75.00 °C. )
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| logP (o/w) : | 0.79 |
| shelf life : | 36.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | C - Corrosive. |
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R 34 - Causes burns. S 01/02 - Keep locked up and out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2000.00 mg/kg
intravenous-Mouse 800.00 mg/kg Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
Intraperitoneal-Mouse 3180.00 mg/kg Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 530.00 ul/kg Union Carbide Data Sheet. Vol. 4/10/1968
Subcutaneous-Mouse 3180.00 mg/kg Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for butyric acid usage levels up to : |
| | not for fragrance use.
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| recommendation for butyric acid usage levels up to : |
| | 270.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2820 |
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| WGK Germany : | 1 |
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| | butanoic acid
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| (EINECS) number : | 203-532-3 |
| RTECS : | 107-92-6 |
| chemidplus : | 000107926 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 107-92-6 |
| dtp/nci : | 8415 |
references :
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| | butanoic acid
|
| fl. number : | 08.005 |
| jecfa number : | 87 |
| NIST Chemistry WebBook : | 2589720300 |
| pubchem : | 151005 |
Cosmetics :
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| Cosmetic uses : |
masking agents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |