2,5-Hexanediol,2,5-dimethyl-, 2,5-diacetate supplier

Name
1,1,4,4-tetramethylbutane-1,4-diyl diacetate
EINECS 260-110-1
CAS No. 56323-20-7
Article Data3
CAS DataBase
Density 0.985 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂O₄
Boiling Point 279.6 °C at 760 mmHg
Molecular Weight 230.304
Flash Point 126.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Hexanediol,2,5-dimethyl-, diacetate (6CI,9CI);2,5-Dimethyl-2,5-hexanediol diacetate;2,5-Dimethylhexane-2,5-diyl diacetate;
PSA 52.60000
LogP 2.45000

2,5-Hexanediol,2,5-dimethyl-, 2,5-diacetate Specification

The 2,5-Hexanediol,2,5-dimethyl-, 2,5-diacetate, with the CAS registry number 56323-20-7, is also known as 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate. Its EINECS registry number is 260-110-1. This chemical's molecular formula is C₁₂H₂₂O₄ and molecular weight is 230.30068. Its IUPAC name is called (5-acetyloxy-2,5-dimethylhexan-2-yl) acetate.

Physical properties of 2,5-Hexanediol,2,5-dimethyl-, 2,5-diacetate: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.45; (5)ACD/BCF (pH 7.4): 36.45; (6)ACD/KOC (pH 5.5): 456.55; (7)ACD/KOC (pH 7.4): 456.55; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.436; (11)Molar Refractivity: 61.12 cm³; (12)Molar Volume: 233.6 cm³; (13)Surface Tension: 30.5 dyne/cm; (14)Density: 0.985 g/cm³; (15)Flash Point: 126.6 °C; (16)Enthalpy of Vaporization: 51.82 kJ/mol; (17)Boiling Point: 279.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00399 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C
(2)InChI: InChI=1S/C12H22O4/c1-9(13)15-11(3,4)7-8-12(5,6)16-10(2)14/h7-8H2,1-6H3
(3)InChIKey: JLERQYVUVOLBLH-UHFFFAOYSA-N

Product Name

1,1,4,4-tetramethylbutane-1,4-diyl diacetate

2,5-Hexanediol,2,5-dimethyl-, 2,5-diacetate Specification

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