基本情報
- CAS
110-69-0- 標準SMILES
CCCC=NO- InChIKey
KGGVGTQEGGOZRN-UHFFFAOYSA-N- 分子式
- C4H9NO
- 平均分子量
- 87.12 g/mol
- 単同位体質量
- 87.06841391
概要
Butyraldoxime appears as a liquid. Flash point 140 °F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.
名称と識別子
- 優先名称
- Butanal, oxime
- IUPAC
- N-butylidenehydroxylamine
- 現地名
- ブチルアルドキシム
- 英語名
- Butyraldehyde oxime
- 分子式
- C4H9NO
- 分子量
- 87.12
名称と別名
BUTYRALDOXIMEButanal oximeButyraldehyde oxime110-69-0Butanal, oximebutanaldoximen-ButyraldoximeDTXSID2024664n-ButylaldoximeButylaldoximen-Butyraldehyde oximeExkin 1
名称をさらに表示
ブチルアルドキシムｎ－ブチルアルデヒドオキシムブチルアルデヒドオキシムブチラルドキシムブチルアルデヒド オキシムexkin1skino#1usafam-6Skino No. 1utraldoxime
Troykyd Anti-skin BTOCHEBI:59012USAF AM-6Butyraldehyde, oximeExkin No. 1 anti-skinning agentG4CAF8L77SDTXCID004664NSC-1487
データベース識別子
- CAS
110-69-0- PubChem CID
- 8069
- DTXSID
DTXSID2024664- ChEMBL
CHEMBL1729186- ChEBI
CHEBI:59012- EC Number
- 203-792-8
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 32.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 42.8
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Oximes
Flammable agents - 2nd degree
Density0.923 (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Point136 °F (NTP, 1992)
Boiling Point306 °F at 760 mmHg (NTP, 1992)
Melting Point-21.1 °F (NTP, 1992)
Vapor Density3.01 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical Description
Butyraldoxime appears as a liquid. Flash point 140 °F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.
Clear colorless liquid; [NTP]
物理化学的性質
- 融点
- -29.5 °C · -29.5°C
- 沸点
- 152 · 152-154 °C
- 比重(密度)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Butanal, oxime
Butyraldehyde oxime: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
Methemoglobinemia (with associated anemia), hepatocellular necrosis (in animals that died during study), nasal olfactory epithelial degeneration observed in 14-week oral study of mice and rats; [NTP] An eye irritant; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
DOT ID and Guide2840 129
化学と産業
用途と製造
Uses
Used to make plastics and rubber; [CAMEO] Used as an anti-skinning agent in paints, inks, adhesives, and other products; [NTP] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing InformationButanal, oxime: ACTIVE
応用分野
一般的な説明A liquid. Flash point 140°F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.
調製方法
製造方法To a slowly stirred mixture of 73 gm (1 mole) of butylamine and 109 gm of a 12.2% aqueous solution of sodium tungstate is added (1.75 hr) with cooling to maintain a temperature of 15°C, 220 gm of 28% hydrogen peroxide. During this reaction 130 ml of ethanol is added portionwise to clarify the emulsion which tends to form. The green solution is stirred at 15°C for an additional hour after the addition has been completed. The reaction mixture is cooled, neutralized, and freed of the ethanol under reduced pressure. The solution is then saturated with sodium chloride and the oily product is separated and distilled to afford 50 gm (58%), b.p. 152°C. Evidently hydroxylamines may also be oxidized with hydrogen peroxide in the presence of sodium tungstate, as mentioned above. In a recent report, phenylglyoxime was prepared by a ferric chloride oxidation of the correspondingly hydroxylamine oxime.
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