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CAS No.: | 69725-37-7 |
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Name: | 2,2,7-TRIMETHYL-3,5-OCTANEDIONE |
Molecular Structure: | |
Formula: | C11H20O2 |
Molecular Weight: | 184.28 |
Synonyms: | 2,2,7-Trimethyl-3,5-octanedione;2,2,7-Trimethyloctane-3,5-dione; |
EINECS: | -0 |
Density: | 0.899 g/cm3 |
Boiling Point: | 245.6 °C at 760 mmHg |
Flash Point: | 90.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 34.14000 |
LogP: | 2.60690 |
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The 3,5-Octanedione,2,2,7-trimethyl- is an organic compound with the formula C11H20O2. The IUPAC name of this chemical is 2,2,7-Trimethyloctane-3,5-dione. With the CAS registry number 69725-37-7, it is also named as 2,2,7-Trimethyl-3,5-octanedione. Besides, it should be stored in a cool, sealed and dry place.
The physical properties of 3,5-Octanedione,2,2,7-trimethyl- are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.97; (4)ACD/BCF (pH 5.5): 107.83; (5)ACD/BCF (pH 7.4): 106.74; (6)ACD/KOC (pH 5.5): 992.27; (7)ACD/KOC (pH 7.4): 982.25; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.43; (12)Molar Refractivity: 52.99 cm3; (13)Molar Volume: 204.7 cm3; (14)Polarizability: 21×10-24 cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.899 g/cm3; (17)Flash Point: 90.1 °C; (18)Enthalpy of Vaporization: 48.27 kJ/mol; (19)Boiling Point: 245.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0284 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(=O)C(C)(C)C)CC(C)C
(2)InChI: InChI=1/C11H20O2/c1-8(2)6-9(12)7-10(13)11(3,4)5/h8H,6-7H2,1-5H3
(3)InChIKey: KEBPOWLGOOTMPK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H20O2/c1-8(2)6-9(12)7-10(13)11(3,4)5/h8H,6-7H2,1-5H3
(5)Std. InChIKey: KEBPOWLGOOTMPK-UHFFFAOYSA-N