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1-PHENYL-2-PROPANOL
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Name

1-PHENYL-2-PROPANOL

 EINECS 211-821-0
CAS No. 698-87-3 Density 0.99
PSA 20.23000 LogP 1.60990
Solubility N/A Melting Point 135-136℃
Formula C9H12 O Boiling Point 213 °C
Molecular Weight 136.194 Flash Point 85 °C
Transport Information N/A Appearance N/A
Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 698-87-3 (BENZYLMETHYLCARBINOL) Hazard Symbols N/A
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;

Article Data 271

1-PHENYL-2-PROPANOL Synthetic route

103-79-7

1-phenyl-acetone

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
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
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 3h; deprotection;100%

tert-Butyl-dimethyl-(1-methyl-2-phenyl-ethoxy)-silane

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
With SO3H silica gel at 25℃; for 0.5h;100%
4436-24-2

1,2-epoxy-3-phenylpropane

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
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%

S-methyl O-(1-phenylpropan-2-yl) carbonodithioate

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
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
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 0℃;95%
23355-97-7

1-phenylpropylene oxide

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
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
ConditionsYield
With silica triflate In methanol for 0.166667h; Heating;95%

(C(Si(CH3)3)3)2In2H3NHCHCH3C6H5

103-79-7

1-phenyl-acetone

A

μ4-oxohexa(μ-hydroxy)tetrakis(tris(trimethylsilyl)methylindium)

B

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
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%
100-44-7

benzyl chloride

75-07-0

acetaldehyde

698-87-3

3-phenyl-2-propanol

Conditions
ConditionsYield
Stage #1: benzyl chloride With magnesium In diethyl ether
Stage #2: acetaldehyde In diethyl ether at 20℃; for 2h; Grignard reaction;		93%

1-PHENYL-2-PROPANOL Chemical Properties

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):

1-PHENYL-2-PROPANOL Uses

1-PHENYL-2-PROPANOL(698-87-3) is used as a chemical reagent.

1-PHENYL-2-PROPANOL Toxicity Data With Reference

1.   

ipr-mus LD50:520 mg/kg

   JPMSAE    Journal of Pharmaceutical Sciences. 60 (1971),799.

1-PHENYL-2-PROPANOL Consensus Reports

Reported in EPA TSCA Inventory.

1-PHENYL-2-PROPANOL 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
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