CAS No.3598-16-1,Sodium phenoxyacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3598-16-1
Name:	Sodium phenoxyacetate
Article Data:	7

Formula:	C₈H₇O₃Na
Molecular Weight:	174.132
Synonyms:	Aceticacid, phenoxy-, sodium salt (8CI,9CI);
EINECS:	222-746-8
Density:	1.498[at 20℃]
Melting Point:	262-264 °C
Boiling Point:	285 °C at 760 mmHg
Flash Point:	115.1 °C
Solubility:	223.6g/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.36000
LogP:	-0.18470

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Specification

The Sodium phenoxyacetate is an organic compound with the formula C₈H₇O₃Na. The IUPAC name of this chemical is sodium 2-phenoxyacetate. With the CAS registry number 3598-16-1, it is also named as Natriumphenoxyaceta. Besides, it should be stored in a dark cool and dry place.

Physical properties about Sodium phenoxyacetate are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): -0.98; (3)ACD/LogD (pH 7.4): -2.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.53 Å²; (12)Flash Point: 115.1 °C; (13)Enthalpy of Vaporization: 55.35 kJ/mol; (14)Boiling Point: 285 °C at 760 mmHg; (15)Vapour Pressure: 0.00135 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-phenoxy-ethanol. This reaction will need reagent O₂, 1.3 N NaOH, catalyst Pd/C, Bi(NO₃)₃*5H₂O. The reaction time is 60 min with reaction temperature of 90 °C. The yield is about 100%.

Uses of Sodium phenoxyacetate: it can be used to produce phenoxy-acetic acid oxiranylmethyl ester at temperature of 80 °C. It will need reagent tetrabutylammonium bromide with reaction time of 12 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)COc1ccccc1
(2)InChI: InChI=1/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
(3)InChIKey: WPTJBFNYRRZIDZ-REWHXWOFAQ
(4)Std. InChI: InChI=1S/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: WPTJBFNYRRZIDZ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	2gm/kg (2000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 751, 1962.