CAS No.122-99-6,Ethanol, 2-phenoxy- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122-99-6
Name:	Ethanol, 2-phenoxy-
Article Data:	122
Cas Database

Formula:	C₈H₁₀O₂
Molecular Weight:	138.166
Synonyms:	Sepicide LD;b-Hydroxyethyl phenyl ether;b-Phenoxyethanol;b-Phenoxyethyl alcohol;(2-Hydroxyethoxy)benzene;1-Hydroxy-2-phenoxyethane;2-Hydroxyethyl phenyl ether;2-Phenoxyethyl alcohol;Arosol;Dalpad A;Dowanol EP;Dowanol EPh;Emeressence1160;Ethylene glycol monophenyl ether;Ethylene glycol phenyl ether;Euxyl PE90120;H 4644;Hisolve EPH;NSC 1864;Newpol EFP;PHE (alcohol);PHE-G;PHE-S;Phenova;Phenoxethol;Phenoxetol;Phenoxyethanol;Phenoxyethyl alcohol;Phenyl cellosolve;Plastilit DS 3431;Rokafenol F 1;
EINECS:	204-589-7
Density:	1.102 g/cm³
Melting Point:	11-13 °C
Boiling Point:	245.199 °C at 760 mmHg
Flash Point:	105.275 °C
Solubility:	Soluble in alcohol, ether and sodium hydroxide solution. Can dissolve oil, natural resin, alkyd, cellulose acetate, ethyecellulose, nitrocellulose and polyvinyl acetate. Miscible with glycerin, propylene glycol, ethanol, ethyl ether, benzene.
Appearance:	colorless or light yellow liquid
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36
Safety:	26
Transport Information:	N/A
PSA:	29.46000
LogP:	1.05770

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Synthetic route

: S-phenylphenoxythioacetate

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol for 18h; Ambient temperature;	100%

: 22855-36-3
bis(2-phenoxyethyl)carbonate

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With methanol; sodium methylate Reflux;	100%

: 29279-13-8
S-ethyl phenoxythioacetate

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With tetrabutylammonium borohydride In chloroform for 3h; Heating;	99%

: 122-59-8
2-phenoxyacetic acid

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With [ReOCl2(1,2-bis(diphenylphosphino)ethane)]; hydrogen; potassium tetraphenylborate In tetrahydrofuran at 160℃; under 30003 Torr; for 24h; Autoclave; Inert atmosphere;	99%
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane for 14h; Ambient temperature;	95%
With strain of the zygomycete fungus S. racemosum MUT 770 In dimethyl sulfoxide for 72h; Enzymatic reaction;	94%

: 96-49-1
[1,3]-dioxolan-2-one

: 108-95-2
phenol

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With potassium fluoride	99%
With potassium iodide	97.7%
With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 170℃; for 0.583333h; Inert atmosphere; Schlenk technique;	94%
With tetraethylammonium iodide

: 108-86-1
bromobenzene

: 107-21-1
ethylene glycol

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With potassium carbonate; copper dichloride at 130℃; for 20h; Inert atmosphere; Schlenk technique;	99%

: O-(4-Nitrobenzyl)-2-phenoxyethanol

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol for 18h; Debenzylation; Heating;	98%
With indium; ammonium chloride In methanol for 18h; Heating;	98%

: 2555-49-9
phenoxyacetic acid ethyl ester

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 3h;	98%
Stage #1: phenoxyacetic acid ethyl ester With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 4h; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol; water	88%
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 2h;	85%

: 2065-23-8
methyl 2-phenoxyacetate

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With strain of the zygomycete fungus S. racemosum MUT 770 In dimethyl sulfoxide for 72h; Enzymatic reaction;	96%
With diisobutylaluminium hydride In toluene at 20℃; for 1.5h;	73%

: 143038-69-1
tert-Butyl-dimethyl-(2-phenoxy-ethoxy)-silane

: 122-99-6
2-Phenoxyethanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol; dichloromethane at 20 - 25℃; for 0.333333h; Flow reactor;	96%
With P(Me2CHNCH2CH2)3N In dimethyl sulfoxide at 80℃; for 36h; desilylation;	95%

Raw Materials

108-95-2

75-21-8

84877-70-3

64-19-7

1746-13-0

139-02-6

100-67-4

2065-23-8

Downstream Products

106-93-4

644-08-6

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Specification

2-Phenoxyethanol is an organic compound with the formula C₈H₁₀O₂, and its systematic name is the same with the product name. With the CAS registry number 122-99-6, it is also named as 2-Hydroxyethyl phenyl ether. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols. Its EINECS number is 204-589-7. In addition, the molecular weight is 138.16. Its classification codes are: (1)Anesthetics; (2)Anti-Infective Agents; (3)Anti-infective agents, local; (4)Central Nervous System Agents; (5)Central Nervous System Depressants; (6)Mutation data; (7)Skin / Eye Irritant. This chemical should be sealed and stored in a cool and dry place. It is used as a fixative for perfumes, an insect repellent, a topical antiseptic, a solvent for cellulose acetate, some dyes, inks, and resins, and it is also used in organic synthesis.

Physical properties of 2-Phenoxyethanol are: (1)ACD/LogP: 1.247; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.22; (6)ACD/BCF (pH 7.4): 5.22; (7)ACD/KOC (pH 5.5): 113.65; (8)ACD/KOC (pH 7.4): 113.65; (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: 1.526; (14)Molar Refractivity: 39.099 cm³; (15)Molar Volume: 127.449 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 39.97 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 105.275 °C; (20)Enthalpy of Vaporization: 50.962 kJ/mol; (21)Boiling Point: 245.199 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.

Preparation: this chemical can be prepared by tert-butyl-dimethyl-(2-phenoxy-ethoxy)-silane at the temperature of 80 °C. This reaction will need reagent P(Me₂CHNCH₂CH₂)₃N and solvent dimethylsulfoxide with the reaction time of 36 hours. The yield is about 95%.

2-Phenoxyethanol can be prepared by tert-butyl-dimethyl-(2-phenoxy-ethoxy)-silane at the temperature of 80 °C

Uses of 2-Phenoxyethanol: it can be used to produce N-(2-phenoxyethoxy)phthalimide at the ambient temperature. It will need reagents diethyl azodicarboxylate, triphenylphosphine and solvent tetrahydrofuran with the reaction time of 16 hours. The yield is about 72%.

2-Phenoxyethanol can be used to produce N-(2-phenoxyethoxy)phthalimide at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes. 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: c1ccc(cc1)OCCO
(2)Std. InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
(3)Std. InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	490mg/kg (490mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse	LD50	oral	933mg/kg (933mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rabbit	LD50	skin	5mL/kg (5mL/kg)		Union Carbide Data Sheet. Vol. 6/24/1958,
rat	LD50	intraperitoneal	554mg/kg (554mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat	LD50	oral	1260mg/kg (1260mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
rat	LD50	skin	14422mg/kg (14422mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Journal of the American College of Toxicology. Vol. 9, Pg. 259, 1990.

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