Molecular Structure of Heptanoic acid,2-methyl- (CAS NO.1188-02-9):

IUPAC Name: 2-Methylheptanoic acid 
Molecular Formula: C₈H₁₆O₂
Molecular Weight: 144.21
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 2 
EINECS: 214-704-2
FEMA: 2706 
Index of Refraction: 1.435
Molar Refractivity: 40.63 cm³
Molar Volume: 155.5 cm³
Surface Tension: 31.8 dyne/cm
Density: 0.926 g/cm³
Flash Point: 116.6 °C
Enthalpy of Vaporization: 51.92 kJ/mol
Boiling Point: 234.6 °C at 760 mmHg
Vapour Pressure: 0.0182 mmHg at 25 °C
Appearance: clear slightly yellow liquid
Canonical SMILES: CCCCCC(C)C(=O)O
InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey: NKBWMBRPILTCRD-UHFFFAOYSA-N
Product Categories: Industrial / Fine Chemicals; Alphabetical Listings; Flavors and Fragrances; M-N

Safety Information of Heptanoic acid,2-methyl- (CAS NO.1188-02-9):
Hazard Codes: Xi
Risk Statements: 37/38-41 
R37/38:Irritating to respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S24/25:Avoid contact with skin and eyes. 
S39:Wear eye / face protection.
WGK Germany: 3
PackingGroup: III

 Heptanoic acid,2-methyl- (CAS NO.1188-02-9), its Synonyms are alpha-Methylheptanoic acid ; Methylamylacetic acid ; 2-Methylenanthic acid ; 2-Methylheptanoic acid .