1,3-Cycloheptanedione supplier

Name
1 3-CYCLOHEPTANEDIONE 97
EINECS 1592732-453-0
CAS No. 1194-18-9
Article Data27
CAS DataBase
Density 1.076 g/cm³
Solubility Soluble in water (5.5 g/100 g), and dimethyl formamide (DMF)
Melting Point
Formula C₇H₁₀O₂
Boiling Point 250.7 °C at 760 mmHg
Molecular Weight 126.155
Flash Point 92.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxocycloheptane;
PSA 34.14000
LogP 1.08870

1,3-Cycloheptanedione Specification

The 1,3-Cycloheptanedione is an organic compound with the formula C₇H₁₀O₂. With the CAS registry number 1194-18-9, the systematic name of this chemical is cycloheptane-1,3-dione. The product's categories are Ring Systems; C7 to C8; Carbonyl Compounds; Ketones. Besides, it should be stored in a dark dry and well-ventilated place.

Physical properties about 1,3-Cycloheptanedione are: (1)ACD/LogP: -0.62; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.96; (7)ACD/KOC (pH 7.4): 10.83; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14 Å²; (10)Index of Refraction: 1.467; (11)Molar Refractivity: 32.54 cm³; (12)Molar Volume: 117.1 cm³; (13)Polarizability: 12.9×10^-24cm³; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.076 g/cm³; (16)Flash Point: 92.2 °C; (17)Enthalpy of Vaporization: 48.8 kJ/mol; (18)Boiling Point: 250.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0213 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC(=O)C1
(2)InChI: InChI=1/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
(3)InChIKey: DBOVMTXPZWVYAQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
(5)Std. InChIKey: DBOVMTXPZWVYAQ-UHFFFAOYSA-N

Product Name

1 3-CYCLOHEPTANEDIONE 97

1,3-Cycloheptanedione Specification

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