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| CAS No.: | 4536-23-6 |
|---|---|
| Name: | 2-Methylhexanoic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | Caproicacid, a-methyl- (3CI);2-Hexanecarboxylic acid;2-Methylcaproic acid;a-Methylcaproic acid; |
| EINECS: | 224-883-9 |
| Density: | 0.935 g/cm3 |
| Melting Point: | -55.77°C (estimate) |
| Boiling Point: | 215.3 °C at 760 mmHg |
| Flash Point: | 102.8 °C |
| Solubility: | Soluble in water |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 1.89730 |
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Chemistry
Molecular Structure of 2-Methylhexanoic acid (CAS NO.4536-23-6):
EINECS: 224-883-9
IUPAC Name: 2-Methylhexanoic acid
Molecular Formula: C7H14O2
Molecular Weight: 130.184860 g/mol
XLogP3: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CCCCC(C)C(=O)O
InChI: InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey: CVKMFSAVYPAZTQ-UHFFFAOYSA-N
Index of Refraction: 1.431
Molar Refractivity: 36 cm3
Molar Volume: 139 cm3
Surface Tension: 31.6 dyne/cm
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
Water Solubility: 1776 mg/L at 25 °C
Refractive Index: n20/D 1.422(lit.)
BRN: 1721227
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Methylhexanoic acid (CAS NO.4536-23-6):
Hazard Codes: C 
Risk Statements: 34
R34:Causes burns
Safety Statements: 26-36/37/39-45
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
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 2
RTECS: MO8400600
HazardClass: 8
PackingGroup: III
HS Code: 29159080
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
2-Methylhexanoic acid with CAS Registry Number of 4536-23-6 is clear colorless to slightly yellow liquid. It is incompatible with strong oxidizing agents, strong bases. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . 2-Methylhexanoic acid is also known as 2-Hexanecarboxylic acid ; 2-Methylcaproic acid ; 2-Methylhexanoic acid ; 4-02-00-00969 (Beilstein Handbook Reference) ; FEMA No. 3191 ; Hexanoic acid, 2-methyl- ; Methylhexanoic acid ; alpha-Methylcaproic acid .