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Product Name: |
4-Methylvaleric acid |
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Synonyms: |
isobutylaceticacid;Isocapronsαure;isohexanoicacid(mixedisomers);Isohexoic acid;isohexoicacid;isocarproic acid;α-methylpentanoic acid;4-Methylpentanoic acid Isohexanoic acid |
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CAS: |
646-07-1 |
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MF: |
C6H12O2 |
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MW: |
116.16 |
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EINECS: |
211-464-0 |
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Product Categories: |
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Mol File: |
646-07-1.mol |
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Melting point |
-35 °C |
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Boiling point |
199-201 °C(lit.) |
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density |
0.923 g/mL at 25 °C(lit.) |
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FEMA |
3463 | 4-METHYLPENTANOIC ACID |
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refractive index |
n20/D 1.414(lit.) |
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Fp |
207 °F |
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storage temp. |
Store below +30°C. |
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form |
Liquid |
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pka |
4.84(at 18℃) |
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Specific Gravity |
0.923 |
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color |
Clear colorless to slightly yellow |
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Odor Threshold |
0.0004ppm |
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Water Solubility |
INSOLUBLE |
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JECFA Number |
264 |
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BRN |
1741912 |
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Stability: |
Stable. Incompatible with strong bases, strong oxidizing agents. |
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InChIKey |
FGKJLKRYENPLQH-UHFFFAOYSA-N |
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CAS DataBase Reference |
646-07-1(CAS DataBase Reference) |
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NIST Chemistry Reference |
Pentanoic acid, 4-methyl-(646-07-1) |
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EPA Substance Registry System |
Pentanoic acid, 4-methyl- (646-07-1) |
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Hazard Codes |
Xn,C |
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Risk Statements |
21-38-34 |
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Safety Statements |
36/37-45-36/37/39-25 |
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RIDADR |
UN 2810 6.1/PG 3 |
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WGK Germany |
3 |
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RTECS |
NR2975000 |
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F |
13 |
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TSCA |
T |
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HazardClass |
8 |
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PackingGroup |
III |
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HS Code |
29159080 |
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Description |
4-Methylpentanoic acid has an unpleasant sour and penetrating odor. |
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Chemical Properties |
4-Methylpentanoic acid has an unpleasant, sour, penetrating odor. |
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Chemical Properties |
slightly brown liquid |
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Uses |
Intermediate for plasticizers, pharmaceuticalsand perfumes. |
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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 |
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Aroma threshold values |
Detection: 810 ppb. |
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Preparation Products |
14-METHYLPENTADECANOIC ACID-->alfa-Bromoisovalericacid |
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Raw materials |
CARBON MONOXIDE-->3-Methyl-1-butene |
