CAS No.67648-61-7,2-(4-HYDROXYPHENOXY)PROPIONIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	67648-61-7
Name:	2-(4-HYDROXYPHENOXY)PROPIONIC ACID
Article Data:	9

Formula:	C₉H₁₀O₄
Molecular Weight:	182.176
Synonyms:	Propionicacid, 2-(p-hydroxyphenoxy)- (7CI);2-(4-Hydroxyphenoxy)propanoic acid;2-(4-Hydroxyphenoxy)propionic acid;2-(p-Hydroxyphenoxy)propionic acid;NSC 522955;O-(4-Hydroxyphenyl)lactic acid;a-(p-Hydroxyphenoxy)propionic acid;
Density:	1.302 g/cm³
Melting Point:	143-146 °C
Boiling Point:	367.5 °C at 760 mmHg
Flash Point:	151.3 °C
Appearance:	white to light beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	66.76000
LogP:	1.24410

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Specification

The IUPAC name of 2-(4-Hydroxyphenoxy)propionic acid is 2-(4-hydroxyphenoxy)propanoic acid. With the CAS registry number 67648-61-7, it is also named as Propanoic acid, 2-(4-hydroxyphenoxy)-. The product's categories are C9; Carbonyl Compounds; Carboxylic Acids. Besides, it is white to light beige crystalline powder, which should be stored in closed, cool and dry place at 0-6 °C. In addition, its molecular formula is C₉H₁₀O₄ and molecular weight is 182.17.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -2.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 45.6 cm³; (14)Molar Volume: 139.8 cm³; (15)Surface Tension: 53.1 dyne/cm; (16)Density: 1.302 g/cm³; (17)Flash Point: 151.3 °C; (18)Melting Point: 143-146 °C; (19)Enthalpy of Vaporization: 64.79 kJ/mol; (20)Boiling Point: 367.5 °C at 760 mmHg; (21)Vapour Pressure: 4.76E-06 mmHg at 25 °C.

Uses of 2-(4-Hydroxyphenoxy)propionic acid: it can react with 2-Chloro-7-methyl-quinoline to get 2-[4-(7-Methyl-quinolin-2-yloxy)-phenoxy]-proπonic acid.

This reaction needs NaH and Dimethylformamide by heating for 2 hours. The yield is 32 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(Oc1ccc(O)cc1)C
(2)InChI: InChI=1/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)
(3)InChIKey: AQIHDXGKQHFBNW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)
(5)Std. InChIKey: AQIHDXGKQHFBNW-UHFFFAOYSA-N