4-(4-ethylphenyl)butanoic acid supplier

Name
4-(4-Ethylphenyl)butanoic acid
EINECS
CAS No. 5467-53-8
Article Data10
CAS DataBase
Density 1.052g/cm³
Solubility
Melting Point 74℃
Formula C₁₂H₁₆O₂
Boiling Point 321.8 °C at 760 mmHg
Molecular Weight 192.258
Flash Point 218.8 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-ethylphenyl)butanoic acid;OTAVA-BB 1043352;UKRORGSYN-BB BBV-183178;4-(4-ethylphenyl)butyric acid;4-(4-ethylphenyl)butanoic acid(SALTDATA: FREE);4-Ethylbenzenebutanoic acid;4-(p-Ethylphenyl)butyric acid
PSA 37.30000
LogP 2.65630

4-(4-ethylphenyl)butanoic acid Specification

The 4-(4-Ethylphenyl)butanoic acid, with CAS registry number 5467-53-8, has the systematic name of 4-(4-ethylphenyl)butanoic acid. Besides this, it is also called UKRORGSYN-BB BBV-183178. And the chemical formula of this chemical is C₁₂H₁₆O₂.

Physical properties of 4-(4-Ethylphenyl)butanoic acid: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 36.06; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 267.51; (8)ACD/KOC (pH 7.4): 4.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 56.18 cm³; (15)Molar Volume: 182.7 cm³; (16)Polarizability: 22.27×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 218.8 °C; (20)Enthalpy of Vaporization: 59.49 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCc1ccc(cc1)CC
(2)InChI: InChI=1/C12H16O2/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
(3)InChIKey: IDXWSFCOUZYCMF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H16O2/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
(5)Std. InChIKey: IDXWSFCOUZYCMF-UHFFFAOYSA-N

Product Name

4-(4-Ethylphenyl)butanoic acid

4-(4-ethylphenyl)butanoic acid Specification

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