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| IUPAC name : | undecanoic acid |
| InChI : | InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) |
| InChIKey : | ZDPHROOEEOARMN-UHFFFAOYAS |
| SMILES : | CCCCCCCCCCC(=O)O |
| (EINECS) number : | 203-964-2 |
| cas number : | 112-37-8 |
| beilstein number : | 1759287 |
| fema number : | 3245 |
| coe number : | 696 |
| jecfa number : | 108 |
| fl. number : | 08.042 |
| molar refractivity : | 54.57 ± 0.3 cm3 |
| parachor : | 491.5 ± 4.0 cm3 |
| index of refraction : | 1.445 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 21.63 ± 0.5 10-24cm3 |
| xlogp : | 4.70 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
| BioActivity Analysis : | 73650 |
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| export tariff code : | 2915.90.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | Undecanoic acid
≥97% |
organoleptics :
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| odor type : | waxy |
| odor strength : | medium |
odor description : at 100.00 %. | waxy creamy cheese fatty coconut |
properties :
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| appearence : | colorless crystals |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 28.00 to 31.00 °C. @ 760.00 mm Hg
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| boiling point : | 228.00 °C. @ 160.00 mm Hg
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| boiling point : | 164.00 to 165.00 °C. @ 15.00 mm Hg
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| congealing point : | 27.00
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| logp : | 4.42 |
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. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for undecanoic acid usage levels up to : |
| | not for fragrance use.
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| recommendation for undecanoic acid usage levels up to : |
| | 20.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | undecanoic acid
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| (EINECS) number : | 203-964-2 |
| RTECS : | YQ2275000 for 112-37-8 |
| chemidplus : | 000112378 |
| EPA Substance Registry Services : | 112-37-8 |
| NLM Chemical Carcinogenesis Research Information System : | 112-37-8 |
| NLM Developmental and Reproductive Toxicity : | 112-37-8 |
| NLM Env. Mutagen Info. Center : | 112-37-8 |
| NLM GENetic TOXicology : | 112-37-8 |
| dtp/nci : | 7885 |
references :
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| | undecanoic acid
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| jecfa number : | 108 |
| fl. number : | 08.042 |
| pubchem : | 151309 |
| NIST Chemistry WebBook : | 4114931888 |
other :
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