2,3-Butanedione monoxime

HCID 6409633CAS 17019-25-9

基本情報

標準SMILES
CC(=O)/C(C)=N/O
InChIKey
FSEUPUDHEBLWJY-HWKANZROSA-N
分子式
C4H7NO2
平均分子量
101.1 g/mol
単同位体質量
101.04767847

名称と識別子

優先名称
2,3-Butanedione monoxime
IUPAC
(3E)-3-hydroxyiminobutan-2-one

名称と別名

2,3-butanedione monoximeDiacetyl monoximeDiacetylmonoximeBiacetyl monoximeBiacetyl monooxime57-71-6Diacetyl monooximeDiacetylmonooxime2,3-Butanedione 2-oxime2-Oximino-3-butanone3-Oximino-2-butanone2,3-Butanedione-2-monoxime
名称をさらに表示
(3E)-3-hydroxyiminobutan-2-one2,3-Butanedione oximeDAM (oxime)Isonitrosoethyl methyl ketone2,3-Butanedione 3-monoxime3-oxo-2-butanone oxime2,3-Butanedione monooxime19SQ93LM6H

データベース識別子

CAS
17019-25-9、57-71-6
PubChem CID
6409633
ChEMBL
CHEMBL1255578
ChEBI
CHEBI:4480
UNII
19SQ93LM6H
EC Number
200-348-5
Nikkaji
J1.383H、J1.614.790G

物性

構造計算による物性

XLogP
0.4
極性表面積
49.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
7

実験および物理化学的性質

Solubility10 to 50 mg/mL at 64 °F (NTP, 1992)
Boiling Point365 to 367 °F at 760 mmHg (NTP, 1992)
Melting Point171 to 172 °F (NTP, 1992)
Physical Description · 2 件

2-oxime 2,3-butanedione is a cream-colored powder. (NTP, 1992)

Cream-colored solid; [CAMEO] White crystalline powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2,3-Butanedione, monooxime

Diacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness.;ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)

Hazards Summary · 1 件

Intraperitoneal LD50 (mouse) = 51 mg/kg; Causes diarrhea and weight loss in 23-day intermittent intraperitoneal studies of rats; [RTECS] Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness. [NTP] May cause irritation; [Alfa Aesar MSDS]

Reactive GroupKetones;Oximes
Reactivity Profile2-OXIME 2,3-BUTANEDIONE may react violently during vacuum distillation above 130 pascals. (NTP, 1992)

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

法規制情報

Regulatory Information · 2 件

Chemical: 2,3-Butanedione, monooxime

Diacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

薬理情報

MeSH Pharmacological Classification · 3 件

Drugs used to reverse the inactivation of cholinesterase caused by organophosphates or sulfonates. They are an important component of therapy in agricultural, industrial, and military poisonings by organophosphates and sulfonates.

Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

用途と製造

UsesUsed to determine urea in blood; [ChemIDplus]
General Manufacturing Information2,3-Butanedione, 2-oxime: ACTIVE

関連反応

59 件

関連ノート

読み込み中…