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CAS No.: | 5382-89-8 |
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Name: | ACETONE CARBOXYMETHOXIME |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C5H9NO3 |
Molecular Weight: | 131.131 |
Synonyms: | Aceticacid, [(isopropylideneamino)oxy]- (6CI,7CI,8CI);Acetic acid, [[(1-methylethylidene)amino]oxy]- (9CI); |
EINECS: | 226-377-3 |
Density: | 1.12 g/cm3 |
Melting Point: | 76-76.5 °C |
Boiling Point: | 228.3 °C at 760 mmHg |
Flash Point: | 91.9 °C |
Appearance: | off-white crystalline solid |
PSA: | 58.89000 |
LogP: | 0.48340 |
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The Acetic acid, 2-[[(1-methylethylidene)amino]oxy]-, with the CAS registry number 5382-89-8, is also known as Acetone carboxymethoxime. It belongs to the product categories of Aliphatics; Amines. And its EINECS registry number is 226-377-3. This chemical's molecular formula is C5H9NO3 and molecular weight is 131.13. What's more, its IUPAC name is 2-(Propan-2-ylideneamino)oxyacetic acid.
Physical properties about Acetic acid, 2-[[(1-methylethylidene)amino]oxy]- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 31.36 cm3; (15)Molar Volume: 116.8 cm3; (16)Polarizability: 12.43×10-24 cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 91.9 °C; (20)Enthalpy of Vaporization: 51.22 kJ/mol; (21)Boiling Point: 228.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0265 mmHg at 25 °C.
Preparation of Acetic acid, 2-[[(1-methylethylidene)amino]oxy]-: this chemical is prepared by reaction of Propan-2-one oxime with Bromoacetic acid. The reaction needs reagent aq. NaOH and catalyst n-C18H37N(CH3)3Br. The reaction time is 2 minutes. Other condition of this reaction is irradiation. The yield is about 68 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CO\N=C(/C)C
(2) InChI: InChI=1/C5H9NO3/c1-4(2)6-9-3-5(7)8/h3H2,1-2H3,(H,7,8)
(3) InChIKey: JZHMMFMMAKFDRT-UHFFFAOYAR