CAS 107-29-9|ACETALDOXIME|ethylidenehydroxylamine|usaf AM-5|N-ethylidenehydroxylamine|acetoxime|acetaldehyde oxime|Acetaldoxime|aldoxime|acetaldoxime|(E)-N-ethylidenehydroxylamine|ethanal oxime|乙醛...

Molecular Formula

C₂H₅NO

Molecular Mass

59.0672

Exact Mass

59.03711379

InChI

InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3

InChIKey

FZENGILVLUJGJX-UHFFFAOYSA-N

Canonic Smiles

CC=NO

Isomeric Smiles

C/C=N/O

JChem

LogD (pH = 7.4)

-0.37

LogD (pH = 5.5)

-0.37

Log P

-0.37

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

11.47

Polar Surface Area

32.59

Polarizability

5.94

Molar Refractivity

15.54

LOG S

0.59

Synonyms

ACETALDOXIMEethylidenehydroxylaminealdoximeacetaldehyde oximeAcetaldoxime乙醛肟，顺式和反式混合物溶液ethanal oximeAcetaldehyde oxime, mixture of syn and anti solutionAcetaldehyde oxime, mixture of syn and anti亚乙基羟胺乙醛肟，顺式和反式混合物acetaldehyde oxime乙醛肟, syn + antiAcetaldoxime, syn + antiethylidenehydroxylamineethanal oximeAcetaldoximeAldoximeAcetaldehyde oxime

IUPAC Traditional name

usaf AM-5 acetoxime acetaldoxime acetaldehyde, oxime

IUPAC name

N-ethylidenehydroxylamine (E)-N-ethylidenehydroxylamine

Chemspider ID

Wikipedia Title

Beilstein Number

MDL Number

UniProt Database

O81346O49342Q501D8O65782

BRENDA Database

BKMS React Database

Patent number

Reaxys Registry

BRENDA Ligand Database

33093

SABIO-RK Database

6730

RTECS

AB2975000

Risk Statements

R:10

20/22-36

10-20/22-36

10-20/21/22-36

Safety Statements

S:9-16-29

26-36/37

MSDS Link

Download link

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Harmful (X)

Main Hazard

Flammable, harmful by ingestion, irritant

NFPA704

GHS Signal Word

Warning

RID/ADR

UN 2332 3/PG 3

GHS Hazard statements

H226-H302-H319

H226-H302-H319-H332

H301-H311-H332-H319-H226

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

UN Number

2332

UN2332

GHS Precautionary statements

P305+P351+P338

P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Packing Group

III

Hazard Class

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

German water hazard class

Storage Temperature

2-8°C

TSCA Listed

是

Product Information

Physical Property

No Data Available

Click here to submit data

No Data Available

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MP Biomedicals

05205476

MP Biomedicals Rare Chemical collection

Sigma Aldrich

A1002

Packaging
25 g in glass bottle

ChEBI

CHEBI:28465

An aldoxime derived from acetaldehyde.

From Data Sources

• Nitrile oxides can be generated from other aldoximes in a similar manner. The resulting isoxazolines can readily be reduced to 3-hydroxy ketones.

• The dimetallated species (n-BuLi, -78^o) can be alkylated at the ɑ-position: Tetrahedron Lett., 25, 263 (1984).

• Chlorination with NCS: Tetrahedron, 40, 2985 (1984), or chlorine, gives the chloroxime, dehydrochlorination of which generates acetonitrile N-oxide, a reactive 1,3-dipole which undergoes cycloadditions with alkenes providing a one-pot route to 2-isoxazolines (same ref.):