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CAS No.: | 35946-91-9 |
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Name: | 2,5-DIISOPROPYLPHENOL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C12H18O |
Molecular Weight: | 178.274 |
Synonyms: | Phenol,2,5-diisopropyl- (6CI,7CI);2,5-Diisopropylphenol;2,5-Di(propan-2-yl)phenol;p-Diisopropylbenzene monoalc;2,5-Bis(1-methylethyl)phenol; |
EINECS: | 252-807-4 |
Density: | 0.948 g/cm3 |
Melting Point: | 118-119 °C |
Boiling Point: | 263 °C at 760 mmHg |
Flash Point: | 119.9 °C |
PSA: | 20.23000 |
LogP: | 3.63900 |
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The Phenol,2,5-bis(1-methylethyl)-, with the CAS registry number 35946-91-9, is also known as 2,5-Diisopropylphenol. This chemical's molecular formula is C12H18O and molecular weight is 178.27. What's more, its systematic name is 2,5-Di(propan-2-yl)phenol and its EINECS number is 252-807-4.
Physical properties of Phenol,2,5-bis(1-methylethyl)- are: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 853.67; (6)ACD/BCF (pH 7.4): 853.07; (7)ACD/KOC (pH 5.5): 4363.33; (8)ACD/KOC (pH 7.4): 4360.27; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 56.5 cm3; (15)Molar Volume: 188 cm3; (16)Polarizability: 22.4×10-24 cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 119.9 °C; (20)Enthalpy of Vaporization: 52.11 kJ/mol; (21)Boiling Point: 263 °C at 760 mmHg; (22)Vapour Pressure: 0.00645 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1C(C)C)C(C)C
(2)InChI: InChI=1/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
(3)InChIKey: VFNUNYPYULIJSN-UHFFFAOYSA-N