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Ethyl methyl ketone oxime(CAS No. 96-29-7)

Ethyl methyl ketone oxime C4H9NO (cas 96-29-7) Molecular Structure

96-29-7 Structure

Identification and Related Records

【Name】
Ethyl methyl ketone oxime
【CAS Registry number】
96-29-7
【Synonyms】
2-Butanone oxime
2-butoxime
aron m 1
butanone oxime
ethyl methyl ketoxime
【EINECS(EC#)】
202-496-6
【Molecular Formula】
C4H9NO (Products with the same molecular formula)
【Molecular Weight】
87.12
【Inchi】
InChI=1/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-
【InChIKey】
WHIVNJATOVLWBW-UHFFFAOYSA-N
【MOL File】
96-29-7.mol

Chemical and Physical Properties

【Appearance】
Clear liquid
【Density】
0.923
【Melting Point】
-30℃
【Boiling Point】
152℃
【Refractive Index】
1.441-1.444
【Flash Point】
60℃
【Water】
114 g/L (20℃)
【Solubilities】
AUTOIGNITION
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents. May react with strong acids to form an explosive material.
【HS Code】
29280090
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:87.12036 [g/mol]
Molecular Formula:C4H9NO
XLogP3-AA:0.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:87.068414
MonoIsotopic Mass:87.068414
Topological Polar Surface Area:32.6
Heavy Atom Count:6
Formal Charge:0
Complexity:58.6
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R21;R40;R41;R43
【Safety Statements 】
S13;S23;S26;S36/37/39
【HazardClass】
3
【Safety】

Safety Information of Methyl ethyl ketoxime (CAS NO.96-29-7):
Hazard Codes: Xn ,T
Risk Statements: 21-40-41-43-52/53-48/25 
R21: Harmful in contact with skin. 
R40: Limited evidence of a carcinogenic effect. 
R41: Risk of serious damage to the eyes. 
R43: May cause sensitization by skin contact. 
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R48: Danger of serious damage to health by prolonged exposure.
R25: Toxic if swallowed.
Safety Statements:13-23-26-36/37/39-61-45-25 
S13: Keep away from food, drink and animal foodstuffs. 
S23: Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S25: Avoid contact with eyes.
RIDADR:UN 1993 3/PG 3
WGK Germany:1
RTECS:EL9275000
HazardClass:3
PackingGroup:III
HS Code:29280090
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. May explode if heated. Reacts with sulfuric acid to form an explosive product. When heated to decomposition it emits toxic fumes of NOx.

【PackingGroup 】
III
【Transport】
UN 1993
【Specification】

First Aid Measures of Methyl ethyl ketoxime (CAS NO.96-29-7):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of Methyl ethyl ketoxime (CAS NO.96-29-7):
Store in a cool, dry place. Store in a tightly closed container.

【Report】

Reported in EPA TSCA Inventory.

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