Acetone, oxime

IUPAC: N-propan-2-ylidenehydroxylamine

CAS 127-06-0
C3H7NO

Acetone, oxime (CAS 127-06-0) is a chemical compound with molecular formula C3H7NO and molecular weight 73.09 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Corrosive, Health Hazard, Serious Health Hazard.

What is Acetone, oxime?

Molecular Formula
C3H7NO
Molecular Weight
73.09 g/mol
Melting Point
61 °C
Boiling Point
133 °C
Density
Density: 0.9113 g/cm cu at 62 °C
Solubility
In water, 30.0 to 32.7% w/w at 20.0 °C

Description

Acetone oxime is a ketoxime.

Structure Identifiers

SMILES
CC(=NO)C
InChI
InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
InChIKey
PXAJQJMDEXJWFB-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
73.0528 Da
XLogP
0.10
TPSA
32.6 Ų
H-Bond Donors
1
H-Bond Acceptors
2
Complexity
45
Formal Charge
0

Experimental

Measured physical and chemical properties from experimental literature.

Color / Form
Columnar prisms
Vapor Pressure
3.12 [mmHg]
LogP
log Kow = 0.12
Dissociation Constants
pK = 12.42 at 24.9 °C
Decomposition
Hazardous decomposition products formed under fire conditions. - Carbon oxides, Nitrogen oxides (NOx)
Other
log Kow = 0.077 (Kow = 1.19) at 22.7 °C

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Flammable GHS02
GHS pictogram: Corrosive GHS05
GHS pictogram: Health Hazard GHS07
GHS pictogram: Serious Health Hazard GHS08

Hazard Statements

  • H228 Flammable solid
  • H312 Harmful in contact with skin

Precautionary Statements

  • P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
  • P240 Ground/bond container and receiving equipment
  • P241 Use explosion-proof electrical/ventilating/lighting equipment
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P271 Use only outdoors or in a well-ventilated area
  • P272 Contaminated work clothing should not be allowed out of the workplace
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P370+P378 In case of fire: Use appropriate media for extinction
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (71)

  • A0065
  • C01995
  • D70154
  • CCRIS 5
  • F100400
  • NSC7601
  • 127-06-0
  • NSC 7601
  • NSC-7601
  • 204-820-1
  • Acetoxime
  • AI3-52259
  • DB-062562
  • HSDB 8484
  • Q16744025
  • STL185580
  • CS-W009556
  • DTXCID1010
  • F0001-0388
  • HY-W008840
  • NS00010056
  • orb2939779
  • QX74TFD64T
  • (CH3)2C=NOH
  • Acetonoxime
  • BRN 1560146
  • CHEBI:15349
  • EN300-31960
  • SCHEMBL2206
  • actone oxime
  • EC 204-820-1
  • MFCD00002118
  • Acetone oxime
  • ACETONE-OXIME
  • AKOS005068118
  • DTXSID6020010
  • ACETONE OXIME,
  • Acetone, oxime
  • ACETOXIME [MI]
  • RefChem:914970
  • SCHEMBL1527278
  • SCHEMBL3579406
  • SCHEMBL4192140
  • SCHEMBL4192141
  • SCHEMBL8054304
  • WLN: QNUY1 & 1
  • dimethylnitrone
  • propanone oxime
  • SCHEMBL10650171
  • SCHEMBL10650179
Show 21 more names
  • UNII-QX74TFD64T
  • EINECS 204-820-1
  • 2-Propanone oxime
  • propan-2-oneoxime
  • 2-Propanone, oxime
  • Acetone oxime, 98%
  • propan-2-one oxime
  • Propane-2-one oxime
  • beta-Isonitrosopropane
  • N-hydroxypropan-2-imine
  • .beta.-Isonitrosopropane
  • propane, 2-hydroxyimino-
  • N-isopropylidenehydroxylamine
  • N-isopropylidene-hydroxylamine
  • N-propan-2-ylidenehydroxylamine
  • N-(propan-2-ylidene)hydroxylamine
  • Acetone oxime, purum, >=98.0% (GC)
  • InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H
  • Propan-2-one oxime(Chunks or pellets)
  • Acetone oxime, Vetec(TM) reagent grade, 98%
  • 4-01-00-03202 (Beilstein Handbook Reference)

Frequently asked questions

What is the CAS number of Acetone, oxime?

The CAS Registry Number for Acetone, oxime is 127-06-0.

What is the IUPAC name of Acetone, oxime?

The IUPAC name of Acetone, oxime is N-propan-2-ylidenehydroxylamine.

What is the molecular formula of Acetone, oxime?

Acetone, oxime has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol.

What is the SMILES notation for Acetone, oxime?

The SMILES notation for Acetone, oxime is CC(=NO)C.

What is the melting point of Acetone, oxime?

The melting point of Acetone, oxime is 61 °C.

What is the boiling point of Acetone, oxime?

The boiling point of Acetone, oxime is 133 °C.

What is the density of Acetone, oxime?

The density of Acetone, oxime is Density: 0.9113 g/cm cu at 62 °C.

How soluble is Acetone, oxime?

Solubility of Acetone, oxime: In water, 30.0 to 32.7% w/w at 20.0 °C.

Is Acetone, oxime hazardous?

Acetone, oxime carries the following GHS hazard classifications: Flammable, Corrosive, Health Hazard, Serious Health Hazard. Signal word: Danger.

What are other names for Acetone, oxime?

Acetone, oxime is also known as .beta.-Isonitrosopropane, (CH3)2C=NOH, 127-06-0, 2-Propanone oxime, 2-Propanone, oxime.

Data sourced from PubChem CID 67180. Last updated .

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