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Basic Information
| CAS No.: | 698-87-3 |
|---|---|
| Name: | BENZYLMETHYLCARBINOL |
| Molecular Structure: | |
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|
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| Formula: | C9H12 O |
| Molecular Weight: | 136.194 |
| Synonyms: | Phenethylalcohol, a-methyl- (7CI,8CI);1-Phenyl-2-propanol;2-Hydroxy-1-phenylpropane;2-Propanol, 1-phenyl-;3-Phenyl-2-hydroxypropane;3-Phenyl-2-propanol;Benzylmethyl carbinol;Benzylethyl alcohol;NSC 53553;a-Methylbenzeneethanol;a-Methylphenethyl alcohol;14898-87-4; |
| EINECS: | 211-821-0 |
| Density: | 0.99 |
| Melting Point: | 135-136℃ |
| Boiling Point: | 213 °C |
| Flash Point: | 85 °C |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 20.23000 |
| LogP: | 1.60990 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With diethoxymethylane; cesium fluoride at 25℃; for 5h; | 100% |
| With diethoxymethylane; ethyl laurate; cesium fluoride at 25℃; for 5h; | 100% |
| With C28H18Co(1-)*K(1+)*2C4H10O2; hydrogen In toluene at 60℃; under 8025.8 Torr; for 24h; chemoselective reaction; | 99% |
- 243645-11-6
tert-butyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decyloxy)-(1-methyl-2-phenyl-ethoxy)-phenyl-silane
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 3h; deprotection; | 100% |
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With SO3H silica gel at 25℃; for 0.5h; | 100% |
Conditions
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; alpha cyclodextrin In water for 24h; Product distribution; Ambient temperature; presence of β-, and γ-cyclodextrin; kinetic resolution; further epoxides; | 98% |
| Stage #1: 1,2-epoxy-3-phenylpropane With sodium tetrahydroborate; diselenide resin In ethanol Stage #2: With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane | 97% |
| With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In toluene at 100℃; under 37503.8 Torr; for 24h; regioselective reaction; | 95% |
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With 3-azapentane-1,5-diamine at 160℃; for 0.5h; Reagent/catalyst; Sealed tube; Microwave irradiation; | 97% |
- 114395-16-3, 121958-40-5, 121958-41-6
(±)-trans-(3-phenyloxiran-2-yl)methyl 4-methylbenzenesulfonate
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 0℃; | 95% |
- 23355-97-7
1-phenylpropylene oxide
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 2h; regioselective reaction; | 95% |
| With ammonium formate In ethyl acetate at 25℃; for 12h; Inert atmosphere; | 94% |
| With alkaline hydrogen peroxide; lithium triethylborohydride In tetrahydrofuran for 1h; | 93% |
| With Al-trifluoromethanesulfonyldiisobutylalane In diethyl ether at 25℃; for 0.5h; Meerwein-Ponndorf-Verley reduction; Inert atmosphere; regioselective reaction; | |
| Multi-step reaction with 2 steps 1: dimethyltitanocene / tetrahydrofuran / 18 h / Inert atmosphere; Reflux 2: water; potassium carbonate / tetrahydrofuran; acetone / 16 h / Inert atmosphere View Scheme |
- 874960-60-8
(2-phenylpropan-1-yloxy)tetrahydro-2H-pyran
- 698-87-3
3-phenyl-2-propanol
Conditions
| Conditions | Yield |
|---|---|
| With silica triflate In methanol for 0.166667h; Heating; | 95% |
Conditions
| Conditions | Yield |
|---|---|
| In tetrahydrofuran A soln. of PhCH2COMe in THF was added to a suspn. of complex in THF at -78°C; 1 h;; evapd., chromy. on silica; eluent - ethyl acetate-light petroleum;; | A n/a B 95% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: benzyl chloride With magnesium In diethyl ether Stage #2: acetaldehyde In diethyl ether at 20℃; for 2h; Grignard reaction; | 93% |
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BENZYLMETHYLCARBINOL
Chemistry
The Molecular formula of 1-PHENYL-2-PROPANOL(698-87-3): C9H12O
The Molar mass of 1-PHENYL-2-PROPANOL(698-87-3): 136.19098
EINECS: 211-821-0
density: 0.99
Boiling point: 213 °C
Flash point: 85 °C
refractive index: n20/D 1.522
Water Solubility: 5840 mg/L 25 °C
Synonyms: 1-Phenyl-2-propanol; 2-Hydroxy-1-phenylpropane; 2-Propanol,1-phenyl-; Benzyl methyl carbinol; alpha-Methyl-phenethyl alcohol; alpha-Methylbenzeneethanol; 1-phenylpropan-2-ol.
The Structure of 1-PHENYL-2-PROPANOL(698-87-3):
The Molar mass of 1-PHENYL-2-PROPANOL(698-87-3): 136.19098
EINECS: 211-821-0
density: 0.99
Boiling point: 213 °C
Flash point: 85 °C
refractive index: n20/D 1.522
Water Solubility: 5840 mg/L 25 °C
Synonyms: 1-Phenyl-2-propanol; 2-Hydroxy-1-phenylpropane; 2-Propanol,1-phenyl-; Benzyl methyl carbinol; alpha-Methyl-phenethyl alcohol; alpha-Methylbenzeneethanol; 1-phenylpropan-2-ol.
The Structure of 1-PHENYL-2-PROPANOL(698-87-3):
Uses
1-PHENYL-2-PROPANOL(698-87-3) is used as a chemical reagent.
Toxicity Data With Reference
| 1. | ipr-mus LD50:520 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 60 (1971),799. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Statements: 23-24/25:
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
RTECS: SG8589500
Safety Statements: 23-24/25:
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
RTECS: SG8589500