| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4-methyloctanoic acid |
| InChI : | InChI=1/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChIKey : | LEGGANXCVQPIAI-UHFFFAOYAM |
| SMILES : | CCCCC(C)CCC(=O)O |
| (EINECS) number : | 259-404-2 |
| cas number : | 54947-74-9 |
| fema number : | 3575 |
| coe number : | 11926 |
| jecfa number : | 271 |
| fl. number : | 08.063 |
| molar refractivity : | 45.26 ± 0.3 cm3 |
| parachor : | 409.3 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.919 ± 0.06 g/cm3 |
| polarizability : | 17.94 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
|
|
| |
| |
| IUPAC name : | (4R)-4-methyloctanoic acid |
| InChI : | InChI=1/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m1/s1 |
| InChIKey : | LEGGANXCVQPIAI-MRVPVSSYBF |
| SMILES : | CCCC[C@@H](C)CCC(=O)O |
| cas number : | 54947-74-9 |
| molar refractivity : | 45.26 ± 0.3 cm3 |
| parachor : | 409.3 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.919 ± 0.06 g/cm3 |
| polarizability : | 17.94 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
|
|
| |
| |
| IUPAC name : | (4S)-4-methyloctanoic acid |
| InChI : | InChI=1/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1 |
| InChIKey : | LEGGANXCVQPIAI-QMMMGPOBBD |
| SMILES : | CCCC[C@H](C)CCC(=O)O |
| cas number : | 54947-74-9 |
| molar refractivity : | 45.26 ± 0.3 cm3 |
| parachor : | 409.3 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.919 ± 0.06 g/cm3 |
| polarizability : | 17.94 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
| |
Suppliers :
|
| Oxford Chemicals Ltd : | 4-METHYLOCTANOIC ACID |
| | ≥98.00%, NI, Kosher |
| |
| Sigma-Aldrich-SAFC : | (±)-4-Methyloctanoic acid |
| | ≥98%, Kosher, FG |
| |
| Treatt : | 4-Methyloctanoic acid |
| Treatt USA : | 4-Methyloctanoic acid |
| |
| |
organoleptics :
|
| odor type : | fatty |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in propylene glycol. | fatty waxy musty plastic dairy creamy milk |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90400 - 0.91400 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.522 to 7.605
|
| refractive index : | 1.43000 - 1.43800 @ 20.00 °C.
|
| boiling point : | 149.00 °C. @ 22.00 mm Hg
|
| boiling point : | 120.00 - 122.00 °C. @ 2.00 mm Hg
|
| logp : | 3.25 |
safety :
|
| most important hazard(s) : |
C - Corrosive. |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
|
| | |
| recommendation for 4-methyl octanoic acid usage levels up to : |
| | not for fragrance use.
|
| | |
| recommendation for 4-methyl octanoic acid usage levels up to : |
| | 20.0000 ppm in the flavor.
|
| | |
safety links :
|
| (EINECS) number : | 259-404-2 |
| chemidplus : | 054947749 |
| epa-srs : | 54947-74-9 |
| | |
| chemidplus : | 54947-74-9 |
| epa-srs : | 54947-74-9 |
| | |
| chemidplus : | 54947-74-9 |
| epa-srs : | 54947-74-9 |
| | |
other :
|
| |
|
references :
|
| jecfa number : | 271 |
| fl. number : | 08.063 |
| pubchem : | 198587 |
| NIST Chemistry WebBook : | 2701038432 |
| | |
| pubchem : | 43599192 |
| | |
| pubchem : | 43599194 |
| | |