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CAS No.: | 6279-47-6 |
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Name: | ETHYL 2,6-DIMETHYLPHENOXYACETATE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C12H16O3 |
Molecular Weight: | 208.257 |
Synonyms: | Aceticacid, (2,6-dimethylphenoxy)-, ethyl ester (9CI);Acetic acid, (2,6-xylyloxy)-,ethyl ester (8CI);NSC 11352;Ethyl 2-(2,6-dimethylphenoxy)acetate;Acetic acid, 2-(2,6-dimethylphenoxy)-, ethyl ester;AC1L5COI;AC1Q65BW;AR-1H6342;CID223596;STK445672; |
Density: | 1.046 g/cm3 |
Boiling Point: | 279.6 °C at 760 mmHg |
Flash Point: | 112.3 °C |
Appearance: | slightly-yellowish oil |
PSA: | 35.53000 |
LogP: | 2.24530 |
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The Acetic acid,2-(2,6-dimethylphenoxy)-, ethyl ester with CAS registry number of 6279-47-6 is also known as Acetic acid, (2,6-xylyloxy)-,ethyl ester (8CI). The IUPAC name is Ethyl 2-(2,6-dimethylphenoxy)acetate. It belongs to product categories of Aromatics Compounds; Aromatics. In addition, the formula is C12H16O3 and the molecular weight is 208.25. This chemical is a slightly-yellowish oil.
Physical properties about Acetic acid,2-(2,6-dimethylphenoxy)-, ethyl ester are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 58.25 cm3; (9)Molar Volume: 198.9 cm3; (10)Polarizability: 23.09×10-24cm3; (11)Surface Tension: 34.8 dyne/cm; (12)Density: 1.046 g/cm3; (13)Flash Point: 112.3 °C; (14)Enthalpy of Vaporization: 51.83 kJ/mol; (15)Boiling Point: 279.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00398 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)COc1c(cccc1C)C
2. InChI: InChI=1/C12H16O3/c1-4-14-11(13)8-15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3
3. InChIKey: QXQQEZSRMZQLEO-UHFFFAOYAE
4. Std. InChI: InChI=1S/C12H16O3/c1-4-14-11(13)8-15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3
5. Std. InChIKey: QXQQEZSRMZQLEO-UHFFFAOYSA-N