기본 정보
- CAS
110-69-0- 표준 SMILES
CCCC=NO- InChIKey
KGGVGTQEGGOZRN-UHFFFAOYSA-N- 분자식
- C4H9NO
- 평균 분자량
- 87.12 g/mol
- 단동위원소 질량
- 87.06841391
개요
Butyraldoxime appears as a liquid. Flash point 140 °F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.
이름 및 식별자
- 우선 이름
- Butanal, oxime
- IUPAC
- N-butylidenehydroxylamine
- 현지명
- 부틸산벤질에스테르
- 영어명
- Butyraldehyde oxime
- 분자식
- C4H9NO
- 분자량
- 87.12
이름 및 동의어
BUTYRALDOXIMEButanal oximeButyraldehyde oxime110-69-0Butanal, oximebutanaldoximen-ButyraldoximeDTXSID2024664n-ButylaldoximeButylaldoximen-Butyraldehyde oximeExkin 1
이름 더 보기
부틸산벤질에스테르뷰티르알독심exkin1skino#1usafam-6Skino No. 1utraldoxime
Troykyd Anti-skin BTOCHEBI:59012USAF AM-6Butyraldehyde, oximeExkin No. 1 anti-skinning agentG4CAF8L77SDTXCID004664NSC-1487
데이터베이스 식별자
- CAS
110-69-0- PubChem CID
- 8069
- DTXSID
DTXSID2024664- ChEMBL
CHEMBL1729186- ChEBI
CHEBI:59012- EC Number
- 203-792-8
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 32.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 42.8
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- -29.5 °C · -29.5°C
- 끓는 점
- 152 · 152-154 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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)
유해성 정보
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
화학 및 산업
용도 및 제조
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
응용 분야
일반 설명A liquid. Flash point 140°F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.
제조 방법
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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