Octanoic acid,6-methyl- supplier

Name
6-METHYLOCTANOIC ACID
EINECS
CAS No. 504-99-4
Article Data24
CAS DataBase
Density 0.919 g/cm³
Solubility
Melting Point
Formula C₉H₁₈O₂
Boiling Point 253.4 °C at 760 mmHg
Molecular Weight 158.241
Flash Point 129.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (?à)-6-Methyloctanoic acid;6-Methylcaprylic acid;6-Methyloctanoic acid;Anteisononanoic acid;ai-Nonanoicacid;
PSA 37.30000
LogP 2.67750

Octanoic acid,6-methyl- Specification

The Octanoic acid,6-methyl- is an organic compound with the formula C₉H₁₈O₂. The IUPAC name of this chemical is 6-methyloctanoic acid. With the CAS registry number 504-99-4, it is also named as d-6-Methyloctanoic acid.

Physical properties about Octanoic acid,6-methyl- are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 27.89; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 224.1; (7)ACD/KOC (pH 7.4): 3.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 45.26 cm³; (14)Molar Volume: 172 cm³; (15)Polarizability: 17.94×10^-24cm³; (16)Surface Tension: 32 dyne/cm; (17)Density: 0.919 g/cm³; (18)Flash Point: 129.7 °C; (19)Enthalpy of Vaporization: 54.04 kJ/mol; (20)Boiling Point: 253.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0057 mmHg at 25°C.

Preparation of Octanoic acid,6-methyl-: this chemical can be prepared by (Z)-6-methyl-4-octenoic acid. This reaction will need reagent H₂, catalyst 10 percent Pd/C and solvent ethanol. The reaction time is 2 hours. The yield is about 92%.

Octanoic acid,6-methyl- can be prepared by (Z)-6-methyl-4-octenoic acid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCC(CC)C
(2)InChI: InChI=1/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
(3)InChIKey: GPOPHQSTNHUENT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
(5)Std. InChIKey: GPOPHQSTNHUENT-UHFFFAOYSA-N

Product Name

6-METHYLOCTANOIC ACID

Octanoic acid,6-methyl- Specification

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