2,2-Diphenylpentanoic acid supplier

Name
2,2-DIPHENYLPENTANOIC ACID
EINECS 212-665-6
CAS No. 841-32-7
Article Data12
CAS DataBase
Density 1.104 g/cm³
Solubility
Melting Point 154-156 °C
Formula C₁₇H₁₈O₂
Boiling Point 332.7 °C at 760 mmHg
Molecular Weight 254.329
Flash Point 169.2 °C
Transport Information
Appearance off-white crystalline solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 2,2-diphenyl- (6CI,7CI,8CI);2,2-Diphenylpentanoic acid;2,2-Diphenylvaleric acid;Diphenylpropylacetic acid;NSC 88046;SKF 2314;
PSA 37.30000
LogP 3.85740

2,2-Diphenylpentanoic acid Specification

The 2,2-Diphenylpentanoic acid, with the CAS registry number 841-32-7, is also known as Diphenylpropylacetic acid. It belongs to the product categories of Aromatics Compounds; Aromatics. Its EINECS registry number is 212-665-6. This chemical's molecular formula is C₁₇H₁₈O₂ and molecular weight is 254.32362. Its IUPAC name is called 2,2-diphenylpentanoic acid. This chemical is off-white crystalline solid.

Physical properties of 2,2-Diphenylpentanoic acid: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 46.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 184.94; (8)ACD/KOC (pH 7.4): 3.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 75.23 cm³; (14)Molar Volume: 230.3 cm³; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.104 g/cm³; (17)Flash Point: 169.2 °C; (18)Enthalpy of Vaporization: 60.75 kJ/mol; (19)Boiling Point: 332.7 °C at 760 mmHg; (20)Vapour Pressure: 5.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)
(3)InChIKey: IVYXLCYENQNVHM-UHFFFAOYSA-N

Product Name

2,2-DIPHENYLPENTANOIC ACID

2,2-Diphenylpentanoic acid Specification

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