2-Ethylbutyraldehyde 2-乙基丁醛

CAS 97-96-1 MFCD00006985

化学结构图

97-96-1
SMILES: CCC(C=O)CC

化学属性

Mol. FormulaC6H12O
Mol. Weight100
Density0.814
Refractive index1.4010 to 1.4060
Boiling Point117
Flash Point21°C
TSCAYes
Solubility不溶于水,可混溶于醇、醚。

别名和识别编码

Chemical Name2-Ethylbutyraldehyde
MDL NumberMFCD00006985
CAS Number97-96-1
EC Number202-623-5
Beilstein Registry Number1209330
Synonym {uni_hamburg} 2-Ethylbutyric aldehyde 2-乙基丁缩醛 2-乙基丁缩醛醛 2-ETHYLBUTYRALDEHYDE 2-ETHYLBUTANAL α-Ethylbutyraldehyde a-Ethylbutanal 2-Ethylbutyric aledhyde 2-Ethylbutanal 2-Ethylbutylaldehyd a-ethylbutyraldehyde Butyraldehyde, 2-ethyl- 2-ethyl-butana 二乙基乙醛 DIETHYLACETALDEHYDE 2-Ethylbutyraldehyd Ethyl butyraldehyde 2-Ethylbutyraldehyde (C2H5)2CHCHO 2-ethylbutyricaledhyde 2-Ethylbutyricaldehyde Diethylacetaldehyde 2-乙基丁醛(二乙基乙醛) Butanal,2-ethyl- 2-乙基丁缩醛醛,98% Butanal, 2-ethyl- 2-乙基丁醛 2-ethyl-butanal aldehyde2-ethylbutyrique α-Ethylbutanal 3-Formylpentane 2-ethyl-butyraldehyde FEMA 2426 alpha-Ethylbutyraldehyde 2-ETHYLBUTYLALDEHYDE Aldehyde 2-ethylbutyrique 2-ethyl-butyraldehyd Diethyl acetaldehyde
PubChem Substance ID87569381
Chemical Name Translation2-乙基丁醛
Reaxys-RN1209330
Wiswesser Line NotationVHY2&2
LabNetwork Molecule IDLN00196590
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {uni_hamburg} no charge; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of n

安全信息

Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSES2625000
Packing GroupII
UN Number 1178 UN 1178 3/PG 2
Storage condition Flammables area Air Sensitive
Hazard Codes 3 F;Xi
Hazard Class3
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5990 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 12/14/1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3980 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 8000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

Restrict 危险品

其他信息

  • 可燃性危险特性:易燃
  • 毒性分级:中毒
  • 急性毒性:口服-大鼠 LD50: 3980 毫
  • 毒性:GRAS(FEMA)。 LD 50 3980mg/kg(大鼠,经口)。
  • Acros Organics:2-乙基丁醛 2-Ethylbutyraldehyde, 98%(97-96-1)
  • 刺激数据:皮肤-兔子 500 毫克 轻度
  • 爆炸物危险特性:与空气混合形成爆炸性混合物
  • 图谱信息:2-乙基丁醛(97-96-1)质谱(MS) 2-乙基丁醛(97-96-1)红外图谱(IR1) 2-乙基丁醛(97-96-1)核磁图( 13 CNMR) 2-乙基丁醛(97-96-1)核磁图( 1 HNMR)
  • 2-乙基丁醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 E0069 2-乙基丁醛 2-Ethylbutyraldehyde 500ML 1130元 2011/04/16 E0069 2-乙基丁醛 2-Ethylbutyraldehyde 25ML 169元 2010/06/21 149530010 2-乙基丁醛 2-Ethylbutyraldehyde 98% 1 LT 1621元
  • MSDS 信息:2-乙基丁醛(97-96-1).msds
  • 2-乙基丁醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0069 2-乙基丁醛 2-Ethylbutyraldehyde 500ML 1340元 2014/06/02 E0069 2-乙基丁醛 2-Ethylbutyraldehyde 25ML 216元 2010/06/21 149530010 2-乙基丁醛 2-Ethylbutyraldehyde 98% 1 LT 1621元
  • 类别:易燃液体
  • Alfa Aesar:2-乙基丁缩醛醛,98% 2-Ethylbutyraldehyde, 98%(97-96-1)
  • MOL 文件:97-96-1.mol
  • 储运特性:库房通风低温
  • 上游原料:铁屑 --> 巴豆醛 --> 3-戊醇
  • 参考质量标准:FCC,1997;FAO/WHO,1998 含量 ≥95.0% 馏程(100~120"C) ≥95.0% 相对密度(d 25 25 ) 0.808~0.814 酸值 ≤2.0 折射率n D 25 1.398~1.404
  • 使用限量:FEMA(mg/kg):软饮料10;冷饮40;糖果0.12~25;焙烤食品0.20~20。 适度为限(FDA§172.515,2000)。
  • TCI Shanghai:2-乙基丁醛 2-Ethylbutyraldehyde,>;95.0%(GC)(97-96-1)
  • 方法一:由二乙基甲醇和无水草酸或硫酸缩合而成。 新的方法是由a-Z,烯基丁烯醛用铁屑与乙酸反应而得。
  • 存储注意事项:氮气保护
  • Sigma Aldrich:97-96-1(sigmaaldrich)
  • 含量分析:取0.5mol/L盐酸羟胺液65ml和0.5mol/L三乙醇胺50.0ml,放入一适当的耐热耐压瓶中,瓶子应包紧固定。经一玻璃管小心通入氮气2min,逐出其中空气,玻璃管的末端应装于紧挨液面处。用一称量吸移管准确量取试样1g,放入上述压力瓶内混合液中。加盖,用帆布袋包紧后放入98±2℃的热水浴中反应60min,偶尔摇动一下。冷却,取下盖子,但应预防内容物的损失。用0.5mol/L硫酸滴定至青蓝色终点。同时进行空白滴定。每Ml 0.5mol/L硫酸相当于2-乙基丁醛(C6H12O)50.08mg。 或按GT-10-4中用非极性柱方法测定。
  • {Chemic
  • 敏感性:Air Sensitive
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 下游产品:2-乙基丁酸
  • 外观性质:无色液体。

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