Basic information
- Name:
Acetone oxime
- CAS No.:
127-06-0
- Molecular Structure:
- Formula:
- C3H7NO
- Molecular Weight:
- 73.09
- Synonyms:
- Acetone,oxime (6CI,8CI);Acetoxime;Dimethyl ketoxime;N-Isopropylidenehydroxylamine;NSC 7601;Propanone oxime;b-Isonitrosopropane;2-Propanone, oxime;
- EINECS:
- 204-820-1
- Density:
- 0.91 g/cm3
- Melting Point:
- 60-63 °C(lit.)
- Boiling Point:
- 135 °C at 760 mmHg
- Flash Point:
- 45.2 °C
- Solubility:
- 330 g/L (20 °C) in water
- Appearance:
- white crystals
- Safety Description:
- 22-24/25 Details
- Transport Information:
- UN 1325
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Chemistry
The molecular structure of Acetone oxime (CAS NO.127-06-0):
IUPAC Name: N-Propan-2-ylidenehydroxylamine
Molecular Weight: 73.09378 g/mol
Molecular Formula: C3H7NO
Density: 0.91 g/cm3
Melting Point: 60-63 °C(lit.)
Boiling Point: 135 °C at 760 mmHg
Flash Point: 45.2 °C
Index of Refraction: 1.41
Molar Refractivity: 19.9 cm3
Molar Volume: 80.2 cm3
Surface Tension: 25.6 dyne/cm
Enthalpy of Vaporization: 41.09 kJ/mol
Vapour Pressure: 4.65 mmHg at 25 °C
Water Solubility: 330 g/L (20 °C)
XLogP3: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Tautomer Count: 2
Exact Mass: 73.052764
MonoIsotopic Mass: 73.052764
Topological Polar Surface Area: 32.6
Heavy Atom Count: 5
Canonical SMILES: CC(=NO)C
InChI: InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
InChIKey: PXAJQJMDEXJWFB-UHFFFAOYSA-N
EINECS: 204-820-1
Product Categories: Pharmaceutical Intermediates; Oximino Silanes; Nitrogen Compounds; Organic Building Blocks; Oximes
Uses
Acetone oxime (CAS NO.127-06-0) is used in organic synthesis. It is also used as an analytical reagent for the determination of cobalt.
Toxicity Data With Reference
| 1. | orl-rat LD:>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),26. | ||
| 2. | ipr-mus LD50:4000 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 119 (1957),522. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN1325
WGK Germany: 3
RTECS: AL6825000
F: 21
HazardClass: 4.1
PackingGroup: III
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
Acetone oxime (CAS NO.127-06-0) is also named as 2-Propanone oxime ; 4-01-00-03202 (Beilstein Handbook Reference) ; AI3-52259 ; Acetonoxime ; Acetoxime ; BRN 1560146 ; CCRIS 5 ; NSC 7601 ; beta-Isonitrosopropane . Acetone oxime (CAS NO.127-06-0) is white crystals. It is easily soluble in water, ethanol, ether and acetone, soluble in acid and base.
