4-(1,1-Dimethylethyl)benzeneethanol
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4-(1,1-Dimethylethyl)benzeneethanol
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CAS No:
5406-86-0
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Formula:
C12H18O
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Chemical Name:
4-(1,1-Dimethylethyl)benzeneethanol
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Synonyms:
Benzeneethanol,4-(1,1-dimethylethyl)-;Phenethyl alcohol,p-tert-butyl-;4-(1,1-Dimethylethyl)benzeneethanol;p-tert-Butylphenethyl alcohol;2-(4-tert-Butylphenyl)ethanol;NSC 5319;4-tert-Butylphenethanol;2-(4-tert-Butylphenyl)ethan-1-ol
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CAS No:
4-(1,1-Dimethylethyl)benzeneethanol Basic Attributes
178.27
178.27
410-020-5
AES74I7NRU
5319
DTXSID40202384
2906299090
Characteristics
20.2
3.2
1.0±0.1 g/cm3
32-35°C
150-160 °C @ Press: 15 Torr
109.0±3.7 °C
1.510
Insoluble in water.
Safety Information
III
3077
R41
S26-S36/37/39-S61
SG7875000
Xn,N
P201, P202, P260, P273, P280, P281, P305+P351+P338, P308+P313, P310, P314, P391, P405, P501
H318
|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P201, P202, P260, P273, P280, P281, P305+P351+P338, P308+P313, P310, P314, P391, P405, and P501|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 237 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(1,1-Dimethylethyl)benzeneethanol Use and Manufacturing
4-[2-[4-(t-Butyl)phenyl]ethoxy]quinazoline To a solution of 1.1 g of sodium hydride in 50 ml of DMF, 4.0 g of 2-[4-(t-butyl)phenyl]ethanol was added, and the mixture was stirred at room temperature for one hour. Then 3.6 g of 4-chloroquinazoline in 20 ml of DMF were added, and the mixture was stirred at room temperature overnight. The mixture was then poured into a mixture of ice in water. The product was extracted into CH2 Cl2, and the resulting solution was concentrated to dryness. TLC showed one major spot and five minor spots. The product was purified by HPLC (silica gel, CH2 Cl2). The fractions containing the major product were collected and concentrated, giving 1.9 g of the title product. Yield: 28.4%. M.P. 70-71 C. The compound of was prepared on a larger scale, using a preferred process, as follows: To 54 L of methylene chloride, and 1.8 L of pyridine, 6.5 Kg of 4-hydroxyquinazoline was added, and the mixture was cooled to -5 to 10 C.
Computed Properties
Molecular Weight:178.27
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1,1-Dimethylethyl)benzeneethanol
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