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CAS No.: | 7472-43-7 |
---|---|
Name: | 6-Benzoylhexanoic acid |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C13H16O3 |
Molecular Weight: | 220.268 |
Synonyms: | alpha-oxo Benzeneheptanoic Acid; |
Density: | 1.111 g/cm3 |
Melting Point: | 83-86 °C |
Boiling Point: | 396 °C at 760 mmHg |
Flash Point: | 207.4 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 54.37000 |
LogP: | 2.90440 |
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The 6-Benzoylhexanoic acid, with the CAS registry number 7472-43-7, is also known as NSC401949. It belongs to the product category of Acids & Esters. This chemical's molecular formula is C13H16O3 and molecular weight is 220.26434. Its IUPAC name is called 7-oxo-7-phenylheptanoic acid. The product should be sealed and stored in cool and dry place.
Physical properties of 6-Benzoylhexanoic acid: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/BCF (pH 5.5): 4.26; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 57.25; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 61 cm3; (12)Molar Volume: 198.1 cm3; (13)Surface Tension: 45 dyne/cm; (14)Density: 1.111 g/cm3; (15)Flash Point: 207.4 °C; (16)Enthalpy of Vaporization: 68.15 kJ/mol; (17)Boiling Point: 396 °C at 760 mmHg; (18)Vapour Pressure: 5.57E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCCC(=O)O
(2)InChI: InChI=1S/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)
(3)InChIKey: DOQWHEUDAHLEPT-UHFFFAOYSA-N