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29681-21-8

Basic Information
CAS No.: 29681-21-8
Name: ISOPROPYL TRIGLYCOL
Molecular Structure:
Molecular Structure of 29681-21-8 (ISOPROPYL TRIGLYCOL)
Formula: C9H20O4
Molecular Weight: 192.255
Synonyms: Ethanol,2-[2-(2-isopropoxyethoxy)ethoxy]- (6CI,7CI,8CI);GN 6129;Triethylene glycolmonoisopropyl ether;
EINECS: 249-772-2
Density: 0.99 g/cm3
Boiling Point: 264.3 °C at 760 mmHg
Flash Point: 113.6 °C
PSA: 47.92000
LogP: 0.43690
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Specification

The CAS registry number of Ethanol,2-[2-[2-(1-methylethoxy)ethoxy]ethoxy]- is 29681-21-8. It belongs to the product categories of Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols. This chemical is also named as 2-[2-(2-Isopropoxyethoxy)ethoxy]ethanol. Its EINECS registry number is 249-772-2. In addition, its molecular formula is C9H20O4 and molecular weight is 192.25. Its IUPAC name is called 1-[2-(2-propan-2-yloxyethoxy)ethoxy]ethanol.

Physical properties about Ethanol,2-[2-[2-(1-methylethoxy)ethoxy]ethoxy]- are: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.75; (8)ACD/KOC (pH 7.4): 10.75; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.433; (13)Molar Refractivity: 50.47 cm3; (14)Molar Volume: 194 cm3; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 0.99 g/cm3; (17)Flash Point: 113.6 °C; (18)Enthalpy of Vaporization: 58.32 kJ/mol; (19)Boiling Point: 264.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCO)CCOCCOC(C)C
(2)InChI: InChI=1/C9H20O4/c1-9(2)13-8-7-12-6-5-11-4-3-10/h9-10H,3-8H2,1-2H3
(3)InChIKey: FETMDPWILVCFLL-UHFFFAOYAS