| Identification | More | [Name]
4-Methylvaleric acid | [CAS]
646-07-1 | [Synonyms]
3-METHYLBUTANE-1-CARBOXYLIC ACID
4-METHYL-N-PENTANOIC ACID
4-METHYL-N-VALERIC ACID
4-METHYLPENTANEIC ACID
4-METHYLPENTANOIC ACID
4-METHYLVALERIC ACID
DL-A-ISOCAPROIC ACID
FEMA 3463
FEMA NUMBER 3463
ISOCAPROIC ACID
ISOHEXANOIC ACID
PENTANOIC ACID, 4-METHYL-
RARECHEM AL BO 0172
3-methylbutanecarboxylicacid
4,4-Dimethylbutanoic acid
4,4-Dimethylbutanoicacid
4-methyl-pentanoicaci
4-Methylpentansαure
4-Methylvaleriansαure
acideisohexylique | [EINECS(EC#)]
211-464-0 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00002803 | [Molecular Weight]
116.16 | [MOL File]
646-07-1.mol |
| Chemical Properties | Back Directory | [Appearance]
slightly brown liquid | [Melting point ]
-35 °C
| [Boiling point ]
199-201 °C (lit.) | [density ]
0.923 g/mL at 25 °C(lit.)
| [FEMA ]
3463 | [refractive index ]
n20/D 1.414(lit.)
| [Fp ]
207 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Liquid | [pka]
4.84(at 18℃) | [color ]
Clear colorless to slightly yellow | [Specific Gravity]
0.923 | [Odor]
at 1.00 % in propylene glycol. pungent cheese | [Stability:]
Stable. Incompatible with strong bases, strong oxidizing agents. | [Odor Threshold]
0.0004ppm | [Odor Type]
cheesy | [Water Solubility ]
INSOLUBLE | [JECFA Number]
264 | [BRN ]
1741912 | [InChIKey]
FGKJLKRYENPLQH-UHFFFAOYSA-N | [LogP]
1.66 | [Uses]
Intermediate for plasticizers, pharmaceuticalsand perfumes. | [CAS DataBase Reference]
646-07-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 4-methyl-(646-07-1) | [EPA Substance Registry System]
646-07-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,C | [Risk Statements ]
R21:Harmful in contact with skin.
R38:Irritating to the skin.
R34:Causes burns. | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S25:Avoid contact with eyes . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
NR2975000
| [F ]
13 | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29159080 |
| Hazard Information | Back Directory | [Description]
4-Methylpentanoic acid has an unpleasant sour and penetrating
odor. | [Chemical Properties]
4-Methylpentanoic acid has an unpleasant, sour, penetrating odor. | [Chemical Properties]
slightly brown liquid | [Occurrence]
Reported found in apple, roasted barley, beef, prefermented bread, Camembert cheese, Emmenthal cheese,
roasted cocoa beans, dry cured ham, hops, roasted pecans, rum, soybeans, black tea, wine, guava, papaya, strawberry fruit and jam,
baked potato, bell pepper, tomato, many cheeses, fish, beef, mutton, hop oil, mushrooms, mango, rice, sake, malt, wort, dried bonito
and mussels | [Application]
4-Methylvaleric acid, although identified in Nature, has found very little, if any, use in perfumes or flavors. It is mentioned mainly for the sake of completing the monographs on Methylpentanoic acids. | [Definition]
ChEBI: A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol | [Aroma threshold values]
Detection: 810 ppb. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040 | [General Description]
Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported. |
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