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CAS No.: | 24083-03-2 |
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Name: | 1-(2-butoxypropoxy)propan-2-ol |
Molecular Structure: | |
Formula: | C10H22O3 |
Molecular Weight: | 190.283 |
Synonyms: | 1-(2-butoxypropoxy)propan-2-ol;2-propanol, 1-(2-butoxypropoxy)-; |
EINECS: | 246-011-6 |
Density: | 0.93 g/cm3 |
Melting Point: | < -75oC |
Boiling Point: | 261.7 °C at 760 mmHg |
Flash Point: | 112 °C |
Hazard Symbols: | Xn |
Risk Codes: | 21/22 |
PSA: | 38.69000 |
LogP: | 1.58900 |
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The 2-Propanol,1-(2-butoxypropoxy)-, with the CAS registry number 24083-03-2 and EINECS registry number 246-011-6, has the systematic name of 1-(2-butoxypropoxy)propan-2-ol. And the molecular formula of this chemical is C10H22O3. It is harmful by inhalation and in contact with skin, therefore, while dealing with this chemical, you should be cautious.
The physical properties of 2-Propanol,1-(2-butoxypropoxy)- are as following: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.28; (6)ACD/BCF (pH 7.4): 4.28; (7)ACD/KOC (pH 5.5): 98.52; (8)ACD/KOC (pH 7.4): 98.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 53.32 cm3; (15)Molar Volume: 204.5 cm3; (16)Polarizability: 21.13×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.93 g/cm3; (19)Flash Point: 112 °C; (20)Enthalpy of Vaporization: 58 kJ/mol; (21)Boiling Point: 261.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(O)C)CC(OCCCC)C
(2)InChI: InChI=1/C10H22O3/c1-4-5-6-13-10(3)8-12-7-9(2)11/h9-11H,4-8H2,1-3H3
(3)InChIKey: RUYKSFADZRVSQT-UHFFFAOYAW