6-Benzoylhexanoic acid supplier

Name
6-Benzoylhexanoic acid
EINECS
CAS No. 7472-43-7
Article Data15
CAS DataBase
Density 1.111 g/cm³
Solubility
Melting Point 83-86 °C
Formula C₁₃H₁₆O₃
Boiling Point 396 °C at 760 mmHg
Molecular Weight 220.268
Flash Point 207.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms alpha-oxo Benzeneheptanoic Acid;
PSA 54.37000
LogP 2.90440

6-Benzoylhexanoic acid Specification

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

Product Name

6-Benzoylhexanoic acid

6-Benzoylhexanoic acid Specification

Related Products

Hot Products