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CAS No.: | 33884-41-2 |
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Name: | 3-(ETHOXYMETHYLENE)-2,4-PENTANEDIONE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H12O3 |
Molecular Weight: | 156.181 |
Synonyms: | 1-Acetylaceton-1-ylidene(ethoxy)methane;3-(Ethoxymethylene)-2,4-pentanedione;3-(Ethoxymethylene)acetylacetone;Acetylacetonyl ethoxy methane;NSC 46601; |
Density: | 1.01 g/cm3 |
Boiling Point: | 303.3 °C at 760 mmHg |
Flash Point: | 134.2 °C |
Appearance: | Clear yellow liquid |
Safety: | 24/25 |
PSA: | 43.37000 |
LogP: | 1.08480 |
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The CAS register number of 2,4-Pentanedione,3-(ethoxymethylene)- is 33884-41-2. It also can be called as 1-Acetylaceton-1-ylidene(ethoxy)methane and the systematic name about this chemical is 3-(ethoxymethylidene)pentane-2,4-dione. The molecular formula about this chemical is C8H12O3 and the molecular weight is 156.18.
Physical properties about 2,4-Pentanedione,3-(ethoxymethylene)- are: (1)ACD/LogP: 0.02; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.44; (6)Molar Refractivity: 40.81 cm3; (7)Molar Volume: 154.6 cm3; (8)Polarizability: 16.18x10-24cm3; (9)Surface Tension: 30.5 dyne/cm; (10)Density: 1.01 g/cm3; (11)Flash Point: 134.2 °C; (12)Enthalpy of Vaporization: 54.35 kJ/mol; (13)Boiling Point: 303.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00094 mmHg at 25 °C.
Preparation: this chemical can be prepared by triethoxymethane and pentane-2,4-dione. This reaction is a kind of substitution. This reaction will need reagent of acetic anhydride. The reaction time is 3 hours with reaction temperature of 130 °C. The yield is about 87.5%.
Uses of 2,4-Pentanedione,3-(ethoxymethylene)-: it can be used to produce (2-acetyl-3-oxo-but-1-enyl)-phosphonic acid diethyl ester with phosphonic acid diethyl ester; sodium salt. This reaction will need reagent of diethyl ether. This reaction needs heating. The reaction time is 2 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to aquatic organisms. It may cause long-term adverse effects in the aquatic environment.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/C(=C\OCC)C(=O)C)C
(2)InChI: InChI=1/C8H12O3/c1-4-11-5-8(6(2)9)7(3)10/h5H,4H2,1-3H3
(3)InChIKey: ITTXGKOHFZJUEX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H12O3/c1-4-11-5-8(6(2)9)7(3)10/h5H,4H2,1-3H3
(5)Std. InChIKey: ITTXGKOHFZJUEX-UHFFFAOYSA-N