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| CAS No.: | 628-46-6 |
|---|---|
| Name: | 5-METHYLHEXANOIC ACID |
| Molecular Structure: | |
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| Formula: | C7H14 O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | Caproicacid, d-methyl- (3CI); 5-Methylcaproicacid; 5-Methylhexanoic acid; 5-Methylhexylic acid; Isoenanthic acid; NSC 1075 |
| Density: | 0,91 g/cm3 |
| Melting Point: | -55.77°C (estimate) |
| Boiling Point: | 216°C |
| Flash Point: | >100°C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | A reproductive hazard. |
| Risk Codes: | 34-41 |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 37.30000 |
| LogP: | 1.89730 |
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- Total:33 Page 1 of 1 1
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Chemistry
Empirical Formula of 5-Methylhexanoic acid (CAS NO.628-46-6): C7H14O2
Molecular Weight: 130.1849 g/mol
Index of Refraction: 1.431
Density: 0.935 g/cm3
Flash Point: 102.8 °C
Enthalpy of Vaporization: 49.76 kJ/mol
Boiling Point: 215.3 °C at 760 mmHg
Vapour Pressure: 0.0576 mmHg at 25 °C
Structure of 5-Methylhexanoic acid (CAS NO.628-46-6):
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IUPAC Name: 5-Methylhexanoic acid
Canonical SMILES: CC(C)CCCC(=O)O
InChI: InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey: MHPUGCYGQWGLJL-UHFFFAOYSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition 5-Methylhexanoic acid (CAS NO.628-46-6) emits acrid smoke and irritating vapors.
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Specification
5-Methylhexanoic acid , its cas register number is 628-46-6. It also can be called Hexanoic acid, 5-methyl- ; and Isoheptanoic acid .