CAS No.2901-13-5,Ethyl 2,2-dimethylphenylacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2901-13-5
Name:	Ethyl 2,2-dimethylphenylacetate
Article Data:	19

Formula:	C₁₂H₁₆O₂
Molecular Weight:	192.258
Synonyms:	Hydratropicacid, α-methyl-, ethyl ester (6CI,8CI);Ethyl 2-methyl-2-phenylpropanoate;Ethyl 2-phenylisobutyrate;Ethyldimethylphenylacetate;Ethyl α,α-dimethylbenzeneacetate;Ethyl α,α-dimethylphenylacetate;NSC 29060;Ethyl 2,2-dimethylphenylacetate;
Density:	0.998 g/cm³
Boiling Point:	249.5 °C at 760 mmHg
Flash Point:	95.8 °C
Appearance:	Pale Yellow Liquid
PSA:	26.30000
LogP:	2.52730

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Specification

The Benzeneacetic acid, α,α-dimethyl-, ethyl ester, with the CAS registry number 2901-13-5, is also known as Ethyl 2,2-dimethylphenylacetate. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C₁₂H₁₆O₂ and formula weight is 192.25. What's more, its systematic name is ethyl 2-methyl-2-phenylpropanoate.

Physical properties of Benzeneacetic acid, α,α-dimethyl-, ethyl ester are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.489; (8)Molar Refractivity: 55.68 cm³; (9)Molar Volume: 192.6 cm³; (10)Surface Tension: 32.4 dyne/cm; (11)Density: 0.998 g/cm³; (12)Flash Point: 95.8 °C; (13)Enthalpy of Vaporization: 48.67 kJ/mol; (14)Boiling Point: 249.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(c1ccccc1)(C)C
(2)InChI: InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
(3)InChIKey: OFYSAFPKXXTYLU-UHFFFAOYSA-N