1-Phenoxy-2-propanol supplier

Name
1-Phenoxy-2-propanol
EINECS 212-222-7
CAS No. 770-35-4
Article Data68
CAS DataBase
Density 1.054 g/cm³
Solubility 15.1g/L at 20℃
Melting Point 11 °C
Formula C₉H₁₂O₂
Boiling Point 249.303 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 104.417 °C
Transport Information
Appearance colourless liquid
Safety 23-26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Phenoxy-1-methylethanol;NSC 24015;Phenoxyisopropanol;Propylene phenoxetol;rac-1-Phenoxy-2-propanol;b-Phenoxyisopropanol;2-Propanol, 1-phenoxy-;
PSA 29.46000
LogP 1.44620

Synthetic route

: 621-87-4
3-phenoxy-2-propanone

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With formic acid; C33H33ClIrNO; sodium formate In water at 80℃; for 14h; pH=4.5; Catalytic behavior; Reagent/catalyst; Inert atmosphere; chemoselective reaction;	98%
With formic acid; C18H24ClIrN3 In water at 80℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction;	96%
With [RhCl2(p-cymene)]2; dimethylamine borane In tetrahydrofuran at 70℃; for 24h; Inert atmosphere; Sealed ampoule;	94%

: 122-60-1
Phenyl glycidyl ether

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In toluene at 75℃; under 37503.8 Torr; for 24h; regioselective reaction;	98%
With hydrogen; Pd/magnetite In ethyl acetate at 23℃; under 760.051 Torr; for 0.5h;	97%
With Bu3Sn(HMPA)I; tri-n-butyl-tin hydride In tetrahydrofuran at 60℃; for 2h;	96%

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With Al2O3/MgO composite at 120℃; for 5h; Inert atmosphere;	97.5%
With sodium hydroxide
With sodium hydroxide at 150℃;
With Methyltriphenylphosphonium bromide at 80 - 110℃; under 7500.75 Torr; for 8h; Temperature; Reagent/catalyst; Inert atmosphere;

: 621-87-4
3-phenoxy-2-propanone

: 67-63-0
isopropyl alcohol

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With potassium tert-butylate In tert-butyl alcohol	93%

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: 4169-04-4
2-phenoxy-1-propanol

Conditions

Conditions	Yield
at 116.9℃;	A 92% B 8%
With boron trifluoride diethyl etherate at 76.9℃; Yield given. Yields of byproduct given;
With BiCl6(3-)2C4H10N2ClH3H(1+)H2O In neat (no solvent) at 20℃; for 0.166667h; Overall yield = 91 %;

...Expand

: 2212-05-7
4-chlorophenyl 2,3-epoxypropyl ether

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With hydrogen; triethylamine; palladium on activated charcoal In methanol under 760 Torr; for 24h; Ambient temperature;	89%

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 2-phenoxy-2-propanol

B: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With magnesium-aluminum hydrotalcite completely intercalated on silicate4 at 150℃; for 10h; Reagent/catalyst; Temperature;	A n/a B 85%

...Expand

: 122-60-1
Phenyl glycidyl ether

: 98-95-3
nitrobenzene

A: 770-35-4
1-phenoxy-2-propanol

B: 16112-55-3, 113279-34-8
N-(2-hydroxy-3-phenoxypropyl)aniline

C: 62-53-3
aniline

Conditions

Conditions	Yield
With palladium on activated charcoal; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate In ethanol Reflux;	A 6% B 21% C 73%

...Expand

: 139-02-6
sodium phenoxide

: 127-00-4
1-Chloro-2-propanol

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
at 160℃;

: 127-00-4
1-Chloro-2-propanol

: 108-95-2
phenol

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With sodium ethanolate

: 139-02-6
sodium phenoxide

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With benzene

...Expand

: 917-64-6
methyl magnesium iodide

: 2120-70-9
2-phenoxyethanal

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With diethyl ether

: 139-02-6
sodium phenoxide

: 75-56-9, 16033-71-9
methyloxirane

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With phenol In benzene

: 100-66-3
methoxybenzene

: 75-56-9, 16033-71-9
methyloxirane

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
aluminium trichloride

: 57-55-6
propylene glycol

: 28899-97-0
triphenylbismuth(V) diacetate

A: 770-35-4
1-phenoxy-2-propanol

B: 4169-04-4
2-phenoxy-1-propanol

Conditions

Conditions	Yield
In dichloromethane for 4h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
In dichloromethane for 5h; Heating; Yield given. Yields of byproduct given;

...Expand

: 1-Phenoxy-3-tellanyl-propan-2-ol

A: 621-87-4
3-phenoxy-2-propanone

B: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With nickel boride Ambient temperature; Yield given;

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: Methylphosphonic Acid Methyl-2-hydroxypropyl Ester

C: 126797-90-8
(2-Hydroxy-propyl)-phosphinic acid 2-(2-methoxyphosphinoyl-1-methyl-ethoxyphosphinoyl)-1-methyl-ethyl ester

Conditions

Conditions	Yield
With phosphorous; triethylamine

...Expand

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: phenol-2PO

C: tripropylene glycol phenyl ether

D: 1-{1-Methyl-2-[1-methyl-2-(1-methyl-2-phenoxy-ethoxy)-ethoxy]-ethoxy}-propan-2-ol

Conditions

Conditions	Yield
With sodium hydroxide 1.) 370 K, 2.) 395-400 K; Multistep reaction. Further byproducts given;

...Expand

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: phenol-2PO

C: tripropylene glycol phenyl ether

D: 1-(1-Methyl-2-{1-methyl-2-[1-methyl-2-(1-methyl-2-phenoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propan-2-ol

Conditions

Conditions	Yield
With sodium hydroxide 1.) 370 K, 2.) 395-400 K; Multistep reaction. Further byproducts given;

...Expand

: 174309-44-5
Butyric acid (R)-1-methyl-2-phenoxy-ethyl ester

A: 6065-72-1
2-chloroethyl butanoate

B: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
In hexane at 30℃; Equilibrium constant; lipase B from Candida antarctica;

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B 2-phenoxy-propanol-(1): 2-phenoxy-propanol-(1)

Conditions

Conditions	Yield
With benzenesulfonic acid at 100℃;

...Expand

: 75-56-9, 16033-71-9
methyloxirane

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: phenol-2PO

Conditions

Conditions	Yield
anion exchange resin A (Cl-type) at 100℃; for 12h;	A 94.4 %Chromat. B 5.3 %Chromat.

...Expand

BH4 K: BH4 K

: 621-87-4
3-phenoxy-2-propanone

: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
In methanol

: 122-60-1
Phenyl glycidyl ether

A: 6180-61-6
3-phenoxypropanol

B: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In water for 8h;

: 57-55-6
propylene glycol

: 107-21-1
ethylene glycol

: 108-95-2
phenol

A: 122-99-6
2-Phenoxyethanol

B: 770-35-4
1-phenoxy-2-propanol

C: 4169-04-4
2-phenoxy-1-propanol

Conditions

Conditions	Yield
With sodium carbonate; urea; zinc(II) oxide at 175℃;

...Expand

: 57-55-6
propylene glycol

: 108-95-2
phenol

A: 770-35-4
1-phenoxy-2-propanol

B: 4169-04-4
2-phenoxy-1-propanol

Conditions

Conditions	Yield
With sodium carbonate; urea; zinc(II) oxide at 170 - 190℃;
With potassium carbonate; Diethyl carbonate at 130℃; for 10h;	A 73 %Spectr. B 7 %Spectr.

...Expand

: 57-55-6
propylene glycol

: 108-94-1
cyclohexanone

A: 770-35-4
1-phenoxy-2-propanol

B: 4169-04-4
2-phenoxy-1-propanol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon In neat (no solvent) at 130℃; for 60h; Inert atmosphere; Green chemistry; Overall yield = 40 %; Overall yield = 44 %Spectr.;
With 5%-palladium/activated carbon at 130℃; for 60h; Inert atmosphere; Overall yield = 40 %; Overall yield = 44 %Spectr.;

...Expand

: 1-chloro-2-(phenoxymethyl)borirane - dimethylsulfide 1:1 complex

A: 6180-61-6
3-phenoxypropanol

B: 538-43-2
1-phenoxy-2,3-propanediol

C: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
With dihydrogen peroxide Alkaline conditions;

...Expand

: 1746-13-0
allyl phenyl ether

A: 6180-61-6
3-phenoxypropanol

B: 538-43-2
1-phenoxy-2,3-propanediol

C: 770-35-4
1-phenoxy-2-propanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bis(cyclopentadienyl)titanium dichloride; magnesium / tetrahydrofuran / 0 °C / Inert atmosphere 2: dihydrogen peroxide / Alkaline conditions View Scheme

...Expand

: 770-35-4
1-phenoxy-2-propanol

: 621-87-4
3-phenoxy-2-propanone

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In dichloromethane for 48h; Inert atmosphere;	97%
With 4-acetamido-2,2,6,6-tetramethylpiperidin-1-oxoammonium nitrate; silica gel In dichloromethane at 20℃; for 52h;	95%
With sodium hypochlorite pentahydrate; 4-acetamido-2,2,6,6-tetramethylpiperidine-N-hydroxyammonium tetrafluoroborate In water; acetonitrile at 20℃; for 2h;	65%

: 770-35-4
1-phenoxy-2-propanol

: 105-58-8
Diethyl carbonate

: Carbonic acid bis-(1-methyl-2-phenoxy-ethyl) ester

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 110 - 240℃; under 7.50075 - 75.0075 Torr; for 6.5h;	93%

: 770-35-4
1-phenoxy-2-propanol

: 1-benzylspiro[indoline-3,2′-oxiran]-2-one

: 1-benzyl-3-(hydroxymethyl)-3-[(1-phenoxypropan-2-yl)oxy]-indolin-2-one

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With bismuth(III) chloride at 25 - 26℃; for 0.166667h; Stage #2: 1-benzylspiro[indoline-3,2′-oxiran]-2-one at 25 - 26℃; for 12h; regioselective reaction;	90%

: 876-27-7
4-chlorophenyl acetate

: 770-35-4
1-phenoxy-2-propanol

: 151636-14-5
Acetic acid (R)-1-methyl-2-phenoxy-ethyl ester

Conditions

Conditions	Yield
With Novozym 435; In toluene at 70℃; for 46h;	88%

: 770-35-4
1-phenoxy-2-propanol

: 103-72-0
phenyl isothiocyanate

: 1033617-92-3
C16H17NO2S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: phenyl isothiocyanate In tetrahydrofuran at 20℃; for 18h; Further stages.;	88%

: 906069-29-2
(R)-3-(3,3-Dimethyl-2-oxo-butyryl)-2,2-dimethyl-thiazolidine-4-carboxylic acid

: 770-35-4
1-phenoxy-2-propanol

: 1-phenoxy-2-propyl(2R)-5,5-dimethyl-1-(3,3-dimethyl-1,2-dioxobutyl)-2-(4-thiazolidine)carboxylate

Conditions

Conditions	Yield
With dmap; camphor-10-sulfonic acid; dicyclohexyl-carbodiimide In dichloromethane	73.7%

: 770-35-4
1-phenoxy-2-propanol

: 108-95-2
phenol

Conditions

Conditions	Yield
With [Ir(ppy)2(dtbpy)]PF6; sodium salt of dibutyl phosphate; Methyl thioglycolate In N,N-dimethyl acetamide at 25℃; for 72h; Sealed tube; Irradiation; Inert atmosphere;	72%

: 770-35-4
1-phenoxy-2-propanol

: C15H24O3SSi

: C24H34O4SSi

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 48h; Inert atmosphere;	69%

: 770-35-4
1-phenoxy-2-propanol

: 2131-61-5
p-nitrophenyl isothiocyanate

: 1033617-96-7
C16H16N2O4S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: p-nitrophenyl isothiocyanate In tetrahydrofuran at 20℃; for 18h; Further stages.;	68%

: 906069-48-5
(R)-2,2-Dimethyl-3-[2-oxo-2-(2,4,6-trimethyl-phenyl)-acetyl]-thiazolidine-4-carboxylic acid

: 770-35-4
1-phenoxy-2-propanol

: 1-phenoxy-2-propyl(2R)-5,5-dimethyl-1-[1,2-dioxo-2-(2,4,6-trimethylphenyl)]ethyl-2-(4-thiazolidine)carboxylate

Conditions

Conditions	Yield
With dmap; camphor-10-sulfonic acid; dicyclohexyl-carbodiimide In dichloromethane	67.4%

: 770-35-4
1-phenoxy-2-propanol

: 103-72-0
phenyl isothiocyanate

: 109-61-5
propoxycarbonyl chloride

: C20H23NO4S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 0℃; Stage #2: phenyl isothiocyanate In tetrahydrofuran at 20℃; for 0.333333h; Stage #3: propoxycarbonyl chloride In tetrahydrofuran at 60℃; for 3h; Further stages.;	67%

...Expand

: 486-25-9
9-fluorenone

: 770-35-4
1-phenoxy-2-propanol

: 1,1'-(((9H-fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))bis(propan-2-ol)

Conditions

Conditions	Yield
With sulfuric acid; 3-mercaptopropionic acid at 65℃; for 5h;	66.4%

: 770-35-4
1-phenoxy-2-propanol

: 103-72-0
phenyl isothiocyanate

: 1885-14-9
phenyl chloroformate

: C23H21NO4S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 0℃; Stage #2: phenyl isothiocyanate In tetrahydrofuran at 20℃; for 0.333333h; Stage #3: phenyl chloroformate In tetrahydrofuran at 60℃; for 3h; Further stages.;	64%

...Expand

: 770-35-4
1-phenoxy-2-propanol

: (2-iodopropoxy)benzene

Conditions

Conditions	Yield
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0 - 20℃;	63%

: 770-35-4
1-phenoxy-2-propanol

: 103-72-0
phenyl isothiocyanate

: 592-34-7
carbonochloridic acid, butyl ester

: C21H25NO4S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 0℃; Stage #2: phenyl isothiocyanate In tetrahydrofuran at 20℃; for 0.333333h; Stage #3: carbonochloridic acid, butyl ester In tetrahydrofuran at 60℃; for 3h; Further stages.;	56%

...Expand

: 770-35-4
1-phenoxy-2-propanol

: 35205-54-0
1-methyl-2-phenoxyethylamine

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol In dichloromethane cooling; Stage #2: With dibenzyl azodicarboxylate In dichloromethane cooling; Stage #3: With trifluoroacetic acid In dichloromethane Further stages.;	55%

: 770-35-4
1-phenoxy-2-propanol

: 622-59-3
1-isothiocyanato-4-methylbenzene

: 1033617-93-4
C17H19NO2S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 1-isothiocyanato-4-methylbenzene In tetrahydrofuran at 20℃; for 18h; Further stages.;	55%

: 31643-49-9
4-Nitrophthalonitrile

: 770-35-4
1-phenoxy-2-propanol

: 4-(1-phenoxypropan-2-yloxy)phthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 98h;	48%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; Inert atmosphere;

: 770-35-4
1-phenoxy-2-propanol

: 2284-20-0
4-Methoxyphenyl isothiocyanate

: 1033617-97-8
C17H19NO3S

Conditions

Conditions	Yield
Stage #1: 1-phenoxy-2-propanol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 4-Methoxyphenyl isothiocyanate In tetrahydrofuran at 20℃; for 18h; Further stages.;	42%

1-Phenoxy-2-propanol Specification

1-Phenoxy-2-propanol is an organic compound with the formula C₉H₁₂O₂, and its systematic name is the same with the product name. With the CAS registry number 770-35-4, it is also named as 2-Phenoxy-1-methylethanol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. Its EINECS number is 212-222-7. In addition, the molecular weight is 152.19. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as intermediate of phenoxybenzamine.

Physical properties of 1-Phenoxy-2-propanol are: (1)ACD/LogP: 1.601; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.60; (4)ACD/LogD (pH 7.4): 1.60; (5)ACD/BCF (pH 5.5): 9.70; (6)ACD/BCF (pH 7.4): 9.70; (7)ACD/KOC (pH 5.5): 176.98; (8)ACD/KOC (pH 7.4): 176.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.46 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 43.691 cm³; (15)Molar Volume: 144.332 cm³; (16)Polarizability: 17.32×10^-24cm³; (17)Surface Tension: 37.69 dyne/cm; (18)Density: 1.054 g/cm³; (19)Flash Point: 104.417 °C; (20)Enthalpy of Vaporization: 51.409 kJ/mol; (21)Boiling Point: 249.303 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

Preparation: this chemical can be prepared by phenoxymethyl-oxirane by heating. This reaction will need reagents NaI, n-Bu₃SnH, AIBN and solvent 1,2-dimethoxy-ethane with the reaction time of 2 hours. The yield is about 91%.

1-Phenoxy-2-propanol can be prepared by phenoxymethyl-oxirane by heating

Uses of 1-Phenoxy-2-propanol: it can be used to produce acetic acid 1-methyl-2-phenoxy-ethyl ester at the temperature of 70 °C. It will need reagents (m-H)(C₄Ph₄COHOCC₄Ph₄)>, Novozym 435 and solvent toluene with the reaction time of 46 hours. The yield is about 88%.

1-Phenoxy-2-propano can be used to produce acetic acid 1-methyl-2-phenoxy-ethyl ester at the temperature of 70 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)CC(O)C
(2)Std. InChI: InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
(3)Std. InChIKey: IBLKWZIFZMJLFL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		National Technical Information Service. Vol. OTS0539745.
rat	LD50	oral	2830mg/kg (2830mg/kg)		National Technical Information Service. Vol. OTS0539745.

Product Name

1-Phenoxy-2-propanol

Synthetic route

1-Phenoxy-2-propanol Specification

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