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Acetic acid,2-(2,5-dimethylphenoxy)-

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Name

Acetic acid,2-(2,5-dimethylphenoxy)-

EINECS 230-887-1
CAS No. 7356-41-4 Density 1.146 g/cm3
PSA 46.53000 LogP 1.76680
Solubility N/A Melting Point 114-116ºC
Formula C10H12O3 Boiling Point 308.7 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 121.1 ºC
Transport Information N/A Appearance White to pink Solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7356-41-4 (2,5-DIMETHYLPHENOXYACETIC ACID) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (2,5-dimethylphenoxy)- (9CI);Acetic acid, (2,5-xylyloxy)- (6CI,8CI);(2,5-Dimethylphenoxy)acetic acid;NSC 48915;NSC 62096;

Article Data 10

Acetic acid,2-(2,5-dimethylphenoxy)- Specification

This chemical is called Acetic acid, (2,5-dimethylphenoxy)-, and its systematic name is (2,5-dimethylphenoxy)acetic acid. With the molecular formula of C10H12O3, its molecular weight is 180.20. The CAS registry number of this chemical is 7356-41-4.

Other characteristics of the Acetic acid, (2,5-dimethylphenoxy)- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 48.77 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 19.33×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 58 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00029 mmHg at 25°C.

Uses of this chemical: The Acetic acid, (2,5-dimethylphenoxy)- could react with pyrrolidine, and obtain the 2-(2,5-dimethyl-phenoxy)-1-pyrrolidin-1-yl-ethanone. This reaction needs the reagent of dicyclohexylcarbodiimide (DCC), and the solvent of diethyl ether. The yield is 67 %. In addition, this reaction should be taken for 14 hours at the ambient temperature.

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

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)COc1cc(ccc1C)C
2.InChI: InChI=1/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
3.InChIKey: RSJMMLSDGNQOEO-UHFFFAOYAS

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