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| CAS No.: | 103-05-9 |
|---|---|
| Name: | Benzenepropanol, a,a-dimethyl- |
| Article Data: | 77 |
| Molecular Structure: | |
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|
|
| Formula: | C11H16O |
| Molecular Weight: | 164.247 |
| Synonyms: | 2-Butanol,2-methyl-4-phenyl- (6CI,7CI,8CI);1,1-Dimethyl-3-phenyl-1-propanol;1,1-Dimethyl-3-phenylpropanol;1,1-Dimethyl-3-phenylpropyl alcohol;1-Phenyl-3-methylbutan-3-ol;2-(2-Phenylethyl)-2-propanol;2-Hydroxy-2-methyl-4-phenylbutane;2-Methyl-4-phenyl-2-butanol;2-Phenethyl-2-propanol;4-Phenyl-2-hydroxy-2-methylbutane;4-Phenyl-2-methyl-2-butanol;Benzyl-tert-butanol;Dimethylphenethylcarbinol;NSC 62145;Phenylethyl dimethyl carbinol;a,a-Dimethylbenzenepropanol; |
| EINECS: | 203-074-4 |
| Density: | 0.97 g/cm3 |
| Melting Point: | 31-33 °C(lit.) |
| Boiling Point: | 213.286 °C at 760 mmHg |
| Flash Point: | 106.667 °C |
| Solubility: | 4.569g/L at 20℃ |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 2.39010 |
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- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 0 - 20℃; for 1.5h; Reagent/catalyst; | 100% |
| Conditions | Yield |
|---|---|
| With ammonium cerium (IV) nitrate In water; acetone at 0 - 20℃; for 121h; Reagent/catalyst; | A 37% B 100% |
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| Stage #1: 2-methyl-4-phenyl-2-butyl methoxymethyl ether With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In diethyl ether; dichloromethane at 20℃; for 2h; Inert atmosphere; chemoselective reaction; | 99% |
- 57132-28-2, 25625-21-2
1,1-dimethyl-3-phenylprop-2-en-1-ol
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| Stage #1: 1,1-dimethyl-3-phenylprop-2-en-1-ol With tetrahydropyrrolo[2,1-c][1,2,4]triazole carbene; diphenylsilane In N,N-dimethyl-formamide; mineral oil at 20℃; Inert atmosphere; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere; chemoselective reaction; | 99% |
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 0 - 20℃; for 27h; Reagent/catalyst; Reflux; | 99% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 0 - 20℃; for 27h; | 99% |
- 1402544-07-3
2-methyl-4-phenylbutan-2-yl p-methoxybenzyl ether
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| With water; sodium hydrogencarbonate; bis-[(trifluoroacetoxy)iodo]benzene; meso-2,5-bis(methoxycarbonyl)-2,5-dimethylpyrrolidine-1-oxyl In dichloromethane at 20℃; for 2h; chemoselective reaction; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: methyl iodide With magnesium; ethylene dibromide for 1h; Inert atmosphere; Reflux; Stage #2: 3-phenylpropanoic acid methyl ester at 20℃; for 1h; Inert atmosphere; | 94% |
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| With zinc diacetate In methanol; dichloromethane at 38℃; for 30h; | 92% |
- 1296645-18-5
C15H24O3
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| Stage #1: C15H24O3 With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With water In diethyl ether; dichloromethane at 20℃; for 1h; Inert atmosphere; chemoselective reaction; | 91% |
- 103-05-9
4-phenyl-2-methyl-2-butanol
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In aq. phosphate buffer; dichloromethane at 0 - 20℃; for 2h; pH=7; Solvent; Time; | 91% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In aq. phosphate buffer; dichloromethane at 0 - 20℃; for 2h; | 91% |
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Chemistry
IUPAC Name: 2-Methyl-4-phenylbutan-2-ol
Synonyms: 1,1-Dimethyl-3-phenylpropanol ; 1,1-Dimethyl-3-phenylpropyl alcohol ; 1-Propanol, 1,1-dimethyl-3-phenyl-;2-(2-Phenylethyl)-2-propanol ; 2-Butanol, 2-methyl-4-phenyl- ; 2-Methyl-4-phenyl-2-butano ; 2-Methyl-4-phenylbutan ; 2-Methyl-4-phenyl-butan-2-ol
Product Categories: Alcohols;C9 to C30;Oxygen Compounds
CAS NO: 103-05-9
Molecular Formula of Benzyl-tert-butanol (CAS NO.103-05-9) : C11H16O
Molecular Weight of Benzyl-tert-butanol (CAS NO.103-05-9) : 164.24
Molecular Structure of Benzyl-tert-butanol (CAS NO.103-05-9) :
EINECS: 203-074-4
Mol File: 103-05-9.mol
FEMA : 3629
Index of Refraction: 1.516
Surface Tension: 36.1 dyne/cm
Density: 0.969 g/cm3
Flash Point: 106.7 °C
Enthalpy of Vaporization: 47.53 kJ/mol
Boiling Point: 213.3 °C at 760 mmHg
Vapour Pressure: 0.0977 mmHg at 25°C
Melting point: 31-33 °C(lit.)
Toxicity Data With Reference
| 1. | orl-rat LD50:2200 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),517. | ||
| 2. | skn-rbt LD50:3500 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),517. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes
Xi
Risk Statements 41
R41:Risk of serious damage to the eyes.
Safety Statements 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany 2
RTECS EL5785000
Specification
1. Appearance: Benzyl-tert-butanol (CAS NO.103-05-9) is colorless or pale yellow liquid.
2. Odor: floral, green fragrance, Kusaka.