1-Propanol, 3-methoxy-2,2-dimethyl- supplier

Name
1-Propanol, 3-methoxy-2,2-dimethyl-
EINECS 604-604-1
CAS No. 57021-67-7
Article Data2
CAS DataBase
Density 0.898 g/cm³
Solubility
Melting Point
Formula C₆H₁₄O₂
Boiling Point 164.2 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 51.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-2,2-dimethyl-1-propanol;3-Methoxy-2,2-dimethylpropan-1-ol;
PSA 29.46000
LogP 0.65130

1-Propanol, 3-methoxy-2,2-dimethyl- Specification

The 1-Propanol, 3-methoxy-2,2-dimethyl-, with the CAS registry number 57021-67-7, is also known as 3-Methoxy-2,2-dimethyl-1-propanol. The molecular formula of this chemical is C₆H₁₄O₂ and molecular weight is 118.17. What's more, its systematic name is 3-Methoxy-2,2-dimethylpropan-1-ol.

Physical properties of 1-Propanol, 3-methoxy-2,2-dimethyl- are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.85; (8)ACD/KOC (pH 7.4): 35.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 33.09 cm³; (15)Molar Volume: 131.4 cm³; (16)Polarizability: 13.11×10^-24 cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.898 g/cm³; (19)Flash Point: 51.6 °C; (20)Enthalpy of Vaporization: 46.66 kJ/mol; (21)Boiling Point: 164.2 °C at 760 mmHg; (22)Vapour Pressure: 0.675 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(CO)COC
(2)InChI: InChI=1S/C6H14O2/c1-6(2,4-7)5-8-3/h7H,4-5H2,1-3H3
(3)InChIKey: BEQOBRGLAAGQDU-UHFFFAOYSA-N

Product Name

1-Propanol, 3-methoxy-2,2-dimethyl-

1-Propanol, 3-methoxy-2,2-dimethyl- Specification

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