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Home> Encyclopedia > Hot Product Listed 4   > 4-METHYL-2-PENTANONE OXIME
105-44-2 structure

4-METHYL-2-PENTANONE OXIME

Iupac Name:(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine
CAS No.:105-44-2
EINECS(EC#): 203-298-2
Molecular Weight:115.17
Molecular Formula:C6H13NO (isomer)
Names and Identifiers
Synonyms

4-Methyl-2-pentanone oxime, mixture of syn and anti Isobutyl Methyl KetoximeIsopropylacetone Oxime Isobutyl(methyl) ketoneoxime Isobutylmethyl ketone oxime ISOPROPYLACETONE OXIME Methyl isobutyl ketone oxime METHYL ISOBUTYL KETOXIME

Inchi
InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChkey
ZKALVNREMFLWAN-VOTSOKGWSA-N
Canonical Smiles
CC(C)CC(=NO)C
Isomers Smiles
CC(C)C/C(=N/O)/C
Properties
Appearance
Colorless transparent liquid
Density
0.89
Boiling Point
68-70°C/8mmHg
Vapour
0.434mmHg at 25°C
Refractive Index
0.880
Flash Point
78 °C
HS Code
2928000090
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22-36
Safety Statements
26-36
Safety

Poison by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Hazard Codes:  Xn
Risk Statements:  20/21/22-36
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36: Irritating to the eyes
Safety Statements:  26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
RTECS:  SA9450000

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral > 2gm/kg (2000mg/kg)   Medicina Experimentalis. Vol. 11, Pg. 137, 1964.

Specification

Treatment of  Methyl isobutyl ketoxime (CAS NO.105-44-2) in Wastewater, see as follows :
Total removal:                  4.38  percent
Total biodegradation:        0.10  percent
Total sludge adsorption:    3.29  percent
Total to Air:                      0.99  percent
(using 10000 hr Bio P,A,S)

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:115.17g/mol
  • Molecular Formula:C6H13NO
  • Compound Is Canonicalized:True
  • Exact Mass:115.1
  • Monoisotopic Mass:115.1
  • Complexity:86.5
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.6A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAECAAADQiBAAACAAAQAAAg AQAgAAAAAAAAAAAAAAAwAAAAAAIAAAAAAAAAAAAAAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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