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| IUPAC name : | 4-methylnonanoic acid |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChIKey : | WQTZCQIRCYSUBQ-UHFFFAOYAT |
| SMILES : | CCCCCC(C)CCC(=O)O |
| (EINECS) number : | 256-180-8 |
| cas number : | 45019-28-1 |
| fema number : | 3574 |
| coe number : | 11925 |
| jecfa number : | 274 |
| fl. number : | 08.062 |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 449.1 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.913 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| IUPAC name : | (4R)-4-methylnonanoic acid |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/t9-/m1/s1 |
| InChIKey : | WQTZCQIRCYSUBQ-SECBINFHBQ |
| SMILES : | CCCCC[C@@H](C)CCC(=O)O |
| cas number : | 45019-28-1 (R) |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 449.1 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.913 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| IUPAC name : | (4S)-4-methylnonanoic acid |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/t9-/m0/s1 |
| InChIKey : | WQTZCQIRCYSUBQ-VIFPVBQEBN |
| SMILES : | CCCCC[C@H](C)CCC(=O)O |
| cas number : | 45019-28-1 (S) |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 449.1 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.913 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | 4-METHYLNONANOIC ACID
≥98.00%, NI, Kosher |
| Sigma-Aldrich-SAFC : | 4-Methylnonanoic acid
≥97%, Kosher |
| Treatt : | 4-Methylnonanoic acid
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organoleptics :
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| odor type : | meaty |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in propylene glycol. | pork lamb chicken |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90200 to 0.90900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.514 to 7.573
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| refractive index : | 1.43500 to 1.44000 @ 20.00 °C.
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| boiling point : | 292.00 to 293.00 °C. @ 760.00 mm Hg
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| boiling point : | 125.00 to 127.00 °C. @ 2.50 mm Hg
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| logp : | 3.78 |
safety :
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| most important hazard(s) : |
C - Corrosive. |
| 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 4-methyl nonanoic acid usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
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| | 4-methylnonanoic acid
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| (EINECS) number : | 256-180-8 |
| chemidplus : | 045019281 |
| EPA Substance Registry Services : | 45019-28-1 |
| NLM Chemical Carcinogenesis Research Information System : | 45019-28-1 |
| NLM Developmental and Reproductive Toxicity : | 45019-28-1 |
| NLM Env. Mutagen Info. Center : | 45019-28-1 |
| NLM GENetic TOXicology : | 45019-28-1 |
| | (4R)-4-methylnonanoic acid
|
| | (4S)-4-methylnonanoic acid
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references :
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| | 4-methylnonanoic acid
|
| jecfa number : | 274 |
| fl. number : | 08.062 |
| pubchem : | 198465 |
| | (4R)-4-methylnonanoic acid
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| pubchem : | 43599199 |
| | (4S)-4-methylnonanoic acid
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| pubchem : | 43599201 |
other :
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