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Propanoic acid,3-[4-(hydroxymethyl)phenoxy]-

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Name

Propanoic acid,3-[4-(hydroxymethyl)phenoxy]-

EINECS N/A
CAS No. 101366-61-4 Density 1.266 g/cm3
PSA 66.76000 LogP 1.03240
Solubility N/A Melting Point 148-152 °C
Formula C10H12O4 Boiling Point 365.8 °C at 760 mmHg
Molecular Weight 196.2 Flash Point 146.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 101366-61-4 (3-(4-HYDROXYMETHYLPHENOXY)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

3-(4-Hydroxymethylphenoxy)propionicacid;3-[4-(hydroxymethyl)phenoxy]propanoic acid;

 

Propanoic acid,3-[4-(hydroxymethyl)phenoxy]- Specification

The Propanoic acid,3-[4-(hydroxymethyl)phenoxy]-, with the CAS registry number 101366-61-4, is also known as 3-(4-Hydroxymethylphenoxy)propionic acid. This chemical's molecular formula is C10H12O4 and molecular weight is 196.2. What's more, its systematic name is 3-[4-(hydroxymethyl)phenoxy]propanoic acid.

Physical properties of 2,3-Diphenylindole are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.97; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 50.21 cm3; (13)Molar Volume: 154.8 cm3; (14)Polarizability: 19.9×10-24 cm3; (15)Surface Tension: 53.4 dyne/cm; (16)Density: 1.266 g/cm3; (17)Flash Point: 146.2 °C; (18)Enthalpy of Vaporization: 64.59 kJ/mol; (19)Boiling Point: 365.8 °C at 760 mmHg; (20)Vapour Pressure: 5.39E-06 mmHg at 25°C.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)CCOc1ccc(cc1)CO
(2)InChI: InChI=1/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)
(3)InChIKey: WPWKJUVXEMKOHS-UHFFFAOYAC

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