Crotaldehyde Trans 反式巴豆醛(无危品资质,不能销售)

CAS 4170-30-3 MFCD00007003

化学结构图

4170-30-3
SMILES: C/C=C/C=O

化学属性

Mol. FormulaC4H6O
Mol. Weight70.10
Refractive index1.4370
Boiling Point103-104°
Density0.848
Flash Point8°(46°F)
TSCAYes
Melting Point-76°
Autoignition Point320 °F
Vapor Density2.41 (vs air)
Vapor Pressure32 mmHg ( 20 °C)
Solubility150 G/L (20 ºC)
Appearance 无色透明易燃液体。有窒息性刺激气味。与光或空气接触,变为淡黄色液体,其蒸气为极强的催泪剂。 易溶于水,可与乙醇、乙醚、苯、甲苯、煤油和汽油等以任何比例互混。

别名和识别编码

Chemical NameCrotaldehyde Trans
Synonym (E)-丁烯醛 丁烯醛, PREDOMINANTLY TRANS, 98+% RCRA waste number U053 反式丁烯-2-醛 (E)-2-丁烯醛 2-丁烯醛 (e)-2-butena SS-Methylacrolein 2-Butenaldehyde {Chemicalboo but-2-enal 2-Butenal,(E)- Topanel CA trans-2-Butenal ai3-18303(usda) Aldehyde crotonique {uni_hambu 巴豆醛(2-丁烯醛) 143-01 [6] TRANS-2-BUTENAL 反式-2-丁烯醛 trans-Crotonal (E)-2-Butenal Crotonaldehyde (E)- crotonaldehyde,inhibited 顺,反-巴豆醛 trans-Crotonaldehyde Krotonaldehyd 丁烯醛/巴豆醛 反式丁烯醛 巴豆醛 buten-2-al (E)-Crotonaldehyde 丁烯醛 β-Methylacrolein 2-BUTENAL 2(E)-Butenal beta-Methylacrolein β-甲基丙烯醛 crotonaldehyde00 Crotonaldehyde Crotonaldehyd 丁烯-2-醛 巴豆醛,主要为反式 2-Butenal,(2E)- (E)-but-2-enal E-Crotonaldehyde 2-Butenal BUTENAL CROTINALDEHYDE 2-BUTEN-1-AL 2-Butenal (E)- (e)-crotonaldehyd aldehydecrotonique(french) 1-formylpropene (E)-2-BUTENAL Crotonal Crotonaldehyde, (E)- 丁烯醛(反式) 反式丁烯醛-[2]Β-甲基丙烯醛 trans-2-butanal CROTONALDEHYDE 1-Formylpropene Crotonic aldehyde {un Methylpropenal crotonaldehyde(cis+trans) 2-Butenal, (E)- trans-2-Buten-1-
PubChem Substance ID447466
EC Number224-030-0
Beilstein Registry Number906731
MDL NumberMFCD00007003
CAS Number4170-30-3
Merck Number14,2596
Chemical Name Translation反式巴豆醛(无危品资质,不能销售)
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
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分类

  • {Chemicalbook} 农药中间体: 除草剂中间体: 环己烯酮类除草剂
  • {uni_hamburg} no charge; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 有机合成原料,用于制取丁醛;丁醇;2-乙基己醇;山梨酸;3-甲氧基丁醛;3-甲氧基丁醇;丁烯酸;喹哪啶;顺丁烯二酸酐及吡啶系产品
  • 巴豆醛有顺式和反式两种异构体。顺式异构体不稳定。普通商品是反式异构体。在水中的溶解度(重量%):20℃为15.5℃;5℃为16.1。与水的共沸点为84℃,含丁烯醛75.7%(重量),纯丁烯醛易树脂化,能慢慢氧化成丁烯酸。

相关文献及参考

  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H330 Fatal if inhaled 吸入致命
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H318 Causes serious eye damage 严重伤害眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGP9499000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
Signal word Danger
Packing GroupI
UN Number 1143 UN1143 UN 1143 6.1/PG 1
Risk Statements
  • R11 Highly flammable 非常易燃
  • R26 Very toxic by inhalation 吸入极毒
  • R48/22
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S1 Keep locked up 上锁;
Storage condition 密封阴凉干燥保存。 2-8°C Air Sensitive
Hazard Codes F,T+,N F;T+;N
Hazard Class6.1
Restrict 剧毒化学品
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2664 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   46,1285,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 104 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 26(8),53,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 580 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 26(8),53,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Cardiac - pulse rate increase, without fall in BP
   Lungs, Thorax, or Respiration - cyanosis
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 62(3),3,1997

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 30 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 21500 mg/L/16H
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   44,990,1984

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5(Suppl
   1),3,1983

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 500 ug/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   14,146,1989

TYPE OF TEST            : Heritable translocation test
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 3500 ppm
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,677,1985

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 3500 ppm
REFERENCE :
   ENMUDM Environmental

其他信息

  • 方法一:其制备方法是乙醛在0~20℃进行缩合得到3-羟基丁醛,进一步脱水而得本品,
  • 巴豆醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80039029 巴豆醛(剧毒) kg 220元 2011/08/23 80039028 巴豆醛(剧毒) 500ml 250元 2010/05/25 L03362 丁烯醛
  • {Chemical
  • 方法一:由乙醛在碱或阴离子交换树脂催化作用下液相缩合生成丁醇醛,丁醇醛再在稀酸中加热缩合脱水制得。每吨巴豆醛消耗乙醛1405kg、氢氧化钠4.7kg、醛酸4kg。
  • {Chemica
  • MSDS 信息:Crotonaldehyde(123-73-9).msds
  • 用途四:有机合成原料,用于制取丁醛;丁醇;2-乙基己醇;山梨酸;3-甲氧基丁醛;3-甲氧基丁醇;丁烯酸;喹哪啶;顺丁烯二酸酐及吡啶系产品巴豆醛有顺式和反式两种异构体。顺式异构体不稳定。普通商品是反式异构体。在水中的溶解度(重量%):20℃为15.5℃;5℃为16.1。与水的共沸点为84℃,含丁烯醛75.7%(重量),纯丁烯醛易树脂化,能慢慢氧化成丁烯酸。
  • 下游产品:正丁醇 --> 2-乙基己醇 --> 山梨酸 --> DL-苏氨酸 --> 巴豆酸 --> 8-三氟甲基喹啉-2-甲醛 --> 2-甲基-6-喹啉羧酸 --> 6-氯-2-甲基喹啉 --> 8-羟基喹哪啶 --> 2-乙基丁醛 --> 3-甲硫基丁醛 --> 3-甲氧基丁醇 --> 抗氧剂CA --> (E,E)-2,4-十一烷二烯醛 --> 2,6-二甲基-5-庚烯醛
  • 爆炸物危险特性:与空气混合可爆
  • 职业标准:TWA 6 毫克/ 立方米; STEL 12 毫克/ 立方米
  • 急性毒性:口服- 大鼠 LD50: 80 毫克/ 公斤; 口服- 小鼠 LD50: 104 毫克/ 公斤
  • MOL 文件:123-73-9.mol
  • Alfa Aesar:丁烯醛,predominantlytrans,98+% Crotonaldehyde, predominantly trans, 98+%(123-73-9)
  • 有窒息性刺激气味。与光或空气接触,变为淡黄色液体,逐渐氧化成巴豆酸。能与乙醇;乙醚;苯;甲苯;煤油和汽油等以任何比例互混,易溶于水。
  • Sigma Aldrich:123-73-9(sigmaaldrich)
  • 用途三:有机合成原料,用于制取丁醛、丁醇、2-乙基己醇、山梨酸、3-甲氧基丁醛、3-甲氧基丁醇、丁烯酸、喹哪啶、顺丁烯二酸酐及吡啶系产品。另外,丁烯醛与丁二烯反应可制得环氧树脂原料及环氧增塑剂。与季戊成四醇反应可得到耐热树脂原料。丁烯醛还可用于制取选矿用发泡剂、染料及橡胶抗氧剂、杀虫剂及军用化学品。工业级丁烯醛实际上是反式异构体和顺式异构体组成的混合物[4170-30-3]。但顺式异构体不稳定,含量不到1%。
  • 类别:易燃液体
  • 外观性质:无色或淡黄色液体,
  • 巴豆醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xp400208 bdq 5ml 139.7元 2010/06/21 427181000 巴豆醛 Crotonaldehyde 99+%, AcroSeal® 100 ML 447元 2010/06/21 427188000 巴豆醛 Crotonaldehyde 99+%, AcroSeal® 800 ML 1806元
  • 下游产品:稀禾定 --> 5-[2-(乙硫基)丙基]-1,3-环己二酮
  • 图谱信息:巴豆醛(4170-30-3)红外图谱(IR2) 巴豆醛(417
  • 灭火剂:干粉、二氧
  • {Chem
  • 用途二:用于制正丁醛、正丁醇、橡胶硫化促进剂、酒精变性剂和鞣剂等
  • 用途一:丁烯-2-醛即巴豆醛是除草剂稀禾啶的中间体。
  • Acros Organics:丁烯醛/巴豆醛(禁运) Crot

系列性分类


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