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| CAS No.: | 14377-19-6 |
|---|---|
| Name: | 2-(4-butylphenyl)acetate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C12H15O2 |
| Molecular Weight: | 192.258 |
| Synonyms: | Aceticacid, (p-butylphenyl)- (8CI);4-Butylphenylacetic acid; |
| Density: | 1.052 |
| Melting Point: | 78-81℃ |
| Boiling Point: | 318.8 °C at 760 mmHg |
| Flash Point: | 215.9 °C |
| PSA: | 37.30000 |
| LogP: | 2.65630 |
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- Total:11 Page 1 of 1 1
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Specification
The (4-butylphenyl)acetic acid, with the CAS registry number 14377-19-6, is also known as ZINC02022909. This chemical's molecular formula is C12H15O2 and molecular weight is 191.2463. Its IUPAC name is called 2-(4-butylphenyl)acetate.
Physical properties of (4-butylphenyl)acetic acid: (1)ACD/LogP: 3.56; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 21.34; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 147.07; (7)ACD/KOC (pH 7.4): 2.35; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 215.9 °C; (12)Enthalpy of Vaporization: 59.16 kJ/mol; (13)Boiling Point: 318.8 °C at 760 mmHg; (14)Vapour Pressure: 0.000147 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=CC=C(C=C1)CC(=O)[O-]
(2)InChI: InChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)9-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)/p-1
(3)InChIKey: ROVMLIKBAVUPPB-UHFFFAOYSA-M