Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2 에틸부틸알데히드
2에틸부틸알데히드 · 2-에틸하이드록시알데하이드 · 2-ETHYLBUTANAL · FEMA 2426 · 3-ethylpentanal · Ethylbutyraldehyde · DIETHYLACETALDEHYDE · Butyraldehyde, 2-ethyl-
식별자 및 물리적 특성
| CAS No. | 97-96-1 |
|---|---|
| 분자식 | C6H12O |
| 평균 분자량 | 100.16 g/mol |
| 단동위원소 질량 | 100.088815 g/mol |
| SMILES | CCC(C=O)CC |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| PubChem CID | 7359 |
| ChEMBL | CHEMBL273782 |
| ChEBI | CHEBI:173345 |
| EC No. | 202-623-5 |
| DTXSID | DTXSID3049380 |
| 현지명 | 2 에틸부틸알데히드 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 46.1 |
| 물질 분류 | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Chemical shift |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.808-0.8140.814 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | miscible with alcohol, ethersoluble in water 1 ml in 50 ml(in ethanol) |
| 인화점 | 70 °F (NFPA, 2010) |
| 끓는 점 | 116.00 to 117.00 °C. @ 760.00 mm Hg117 °C117 °C(lit.) |
| 녹는점 | -89 °C-89°C |
| 굴절률 | 1.400-1.405n20/D 1.402(lit.) |
| Physical Description | 2-ethylbutyraldehyde appears as a clear colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air.colourless, mobile liquid with a pungent odour |
| FEMA | 2426 | 2-ETHYLBUTYRALDEHYDE |
| 저장 조건 | Flammables area |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 달콤한 녹색 미묘한 과일 코코아 |
| 향취 유형 | 녹색 |
| 용해도 | 에테르와 알코올에 용해됩니다. 물에 약간 용해됩니다. |
| JECFA Number | 256 |
| BRN | 1209330 |
| 헨리 상수 | 4.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| 안정성 | 안정성 안정적이지만 공기에 민감합니다. 가연성. 공기와 쉽게 폭발성 혼합물을 형성합니다. 강염기, 강환원제, 산화제와 호환되지 않습니다. |
| InChI | 1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| SMILES | CCC(CC)C=O |
| LogP(분배 계수) | 1.73 |
| EPA | Butanal, 2-ethyl- (97-96-1) |
화학적 성질
2-Ethylbutyraldehyde has a pungent odor.
안전 및 규제
| GHS 분류 | DangerH225 (13.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1495 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Butanal, 2-ethyl-Butanal, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanal, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Butanal, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 건강 유해성 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 운송 번호 및 가이드(DOT) | 1178 130 |
| 반응성 그룹 | Aldehydes |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-ETHYLBUTYRALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermicthey are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. |
| DOT Hazard Classification | 2-EthylbutyraldehydeUN1178Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. With air slowly form peroxides. Insoluble in water. |
| Peroxide Forming Chemical | 2-EthylbutanalD*: Other compounds that may form peroxidesBretherick'shttps://cameochemicals.noaa.gov/chemical/672 |
| Hazard Classes and Categories | Flam. Liq. 2 (13.2%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
| 소화 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 비화재 누출 대응 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| Emergency Response Planning Guidelines | CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | ES2625000 |
| 운송 번호(UN) | UN 1178 |
| 관세 코드 | 29121900 |
| 위험 문구(R) | 11-36/37/38 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 16-26-36 |
| 포장분류 | II |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
출처
Reported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.
용도
2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.
일반 설명
A clear colorless liquid. Flash point 70°F. Less dense than water and insoluble in water. Vapors heavier than air.