Acetic acid,2-[[(1-methylethylidene)amino]oxy]- supplier

Name
ACETONE CARBOXYMETHOXIME
EINECS 226-377-3
CAS No. 5382-89-8
Article Data11
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point 76-76.5 °C
Formula C₅H₉NO₃
Boiling Point 228.3 °C at 760 mmHg
Molecular Weight 131.131
Flash Point 91.9 °C
Transport Information
Appearance off-white crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, [(isopropylideneamino)oxy]- (6CI,7CI,8CI);Acetic acid, [[(1-methylethylidene)amino]oxy]- (9CI);
PSA 58.89000
LogP 0.48340

Acetic acid,2-[[(1-methylethylidene)amino]oxy]- Specification

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

Product Name

ACETONE CARBOXYMETHOXIME

Acetic acid,2-[[(1-methylethylidene)amino]oxy]- Specification

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