Hexanoic acid,2,4-dimethyl- supplier

Name
2,4-DIMETHYLHEXANOIC ACID
EINECS 274-702-2
CAS No. 70621-82-8
Article Data7
CAS DataBase
Density 0.924 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 230.6 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 104.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dimethylhexanoicacid;
PSA 37.30000
LogP 2.14330

Hexanoic acid,2,4-dimethyl- Specification

The Hexanoic acid,2,4-dimethyl-, with the CAS registry number 70621-82-8, is also known as AC1L217D. Its EINECS registry number is 274-702-2. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21144. Its IUPAC name is called 2,4-dimethylhexanoic acid.

Physical properties of Hexanoic acid,2,4-dimethyl-: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 8.65; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 99.25; (7)ACD/KOC (pH 7.4): 1.61; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 40.59 cm³; (13)Molar Volume: 155.9 cm³; (14)Surface Tension: 30.6 dyne/cm; (15)Density: 0.924 g/cm³; (16)Flash Point: 104.8 °C; (17)Enthalpy of Vaporization: 51.47 kJ/mol; (18)Boiling Point: 230.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)CC(C)C(=O)O
(2)InChI: InChI=1S/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
(3)InChIKey: GMWSHXONQKXRHS-UHFFFAOYSA-N

Product Name

2,4-DIMETHYLHEXANOIC ACID

Hexanoic acid,2,4-dimethyl- Specification

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