3-Cyclohexene-1-Carboxaldehyde 3-环己烯-1-甲醛

CAS 100-50-5 MFCD00001572

化学结构图

100-50-5
SMILES: O=CC1CC=CCC1

化学属性

Mol. FormulaC7H10O
Mol. Weight110
Density0.94
Refractive index1.4710 to 1.4730
Vapor Density3.8 (vs air)
Boiling Point163-164
Flash Point50°C(lit.)
TSCAYes
Melting Point1-3°
Solubility微溶于水,溶于醇、苯。

别名和识别编码

Chemical Name3-Cyclohexene-1-Carboxaldehyde
MDL NumberMFCD00001572
CAS Number100-50-5
EC Number202-858-3
Beilstein Registry Number774001
Synonym 1,2,3,6-TETRAHYDROBENZALDEHYDE 1,2,3,6-Tetrahydrobenzaldehyde 1,2,3,6-四氢苯甲醛 1,2,3,6-四氢苯甲醛 3-环己烯甲醛 1,2,5,6-TETRAHYDROBENZALDEHYDE 1,2,5,6-四氢苯甲醛 3-CYCLOHEXENE-1-CARBOXALDEHYDE 3-CYCLOHEXENE-1-FORMALDEHYDE 98% 3-Cyclohexen-1-aldehyde 3-Cyclohexene-1-carbaldehyde 3-Cyclohexene-1-carboxaldehyde 3-环己烯甲醛 4-FORMYL-1-CYCLOHEXENE 4-Formylcyclohexene TETRAHYDROBENZALDEHYDE cyclohex-3-ene-1-carbaldehyde cyclohexene-4-carboxaldehyde cyclohexene-4-carboxyaldehyde delta1-tetrahydrobenzaldehyde
PubChem Substance ID87565939
Reaxys-RN774001
Chemical Name Translation3-环己烯-1-甲醛
Wiswesser Line NotationL6UTJ DVH
LabNetwork Molecule IDLN00223726
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
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分类

  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; aldehyde; racemate; 1fragment

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • 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/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • 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;
  • 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);
Risk Statements
  • R21 Harmful in contact with skin 与皮肤接触有害
  • 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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P312+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H312 Harmful in contact with skin 皮肤接触有害
  • 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
RTECSGW2800000
Hazard Codes 3
UN Number 2498
Packing GroupIII
Storage condition 0-10 0-10°C 2-8°C Air Sensitive
Hazard Class3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2460 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,276,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1300 uL/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Blood - hemorrhage
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0535072

其他信息

  • 毒性分级:中毒
  • 灭火剂:泡沫、二氧化碳、雾状水、砂土
  • Alfa Aesar:3-环己烯-1-甲醛,98% 3-Cyclohexene-1-carboxaldehyde, 98%(100-50-5)
  • F:10
  • 检测方法:GC,NMR
  • 图谱信息:1,2,3,6-四氢苯甲醛(100-50-5)质谱(MS) 1,2,3,6-四氢苯甲醛(100-50-5)Raman光谱 1,2,3,6-四氢苯甲醛(100-50-5)核磁图( 1 HNMR) 1,2,3,6-四氢苯甲醛(100-50-5)红外图谱(IR1)
  • 蒸气密度:3.8 (vs air)
  • 类别:易燃液体
  • 储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
  • 贮藏:不允许贮存在性气体环境中。低于20°
  • 1,2,3,6-四氢苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0881 3-环己烯-1-甲醛 3-Cyclohexene-1-carboxaldehyde 25ML 312元 2010/05/25 L04894 3-环己烯-1-甲醛, 98% 3-Cyclohexene-1-carboxaldehyde, 98% 50ml 454元
  • Sigma Aldrich:100-50-5(sigmaaldrich)
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃;燃烧排放刺激烟雾
  • 外观性质:无色透明液体,有刺激性气味,对皮肤、眼睛有强烈刺激作用,相对密度1.040g/cm3(30°C)、自然点395°C、熔点13.5°C、沸点141.0°C,易溶于水、醇类、酯类、蒸汽与空气可形成爆炸性混合物,遇明火、高热能燃烧爆炸,与氧化剂能发生强烈反应,易自聚
  • 急性毒性:口服- 大鼠 LD50: 2460 毫克/ 公斤
  • MSDS 信息:1,2,5,6-四氢化苯甲醛(100-50-5).msds
  • MOL 文件:100-50-5.mol
  • 包 装:200升乙塑料桶包装
  • 敏感性:Air Sensitive
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 轻度
  • 用途一:合成丙烯酸脂、聚丙烯酸及其盐。
  • TCI Shanghai:3-环己烯-1-甲醛 3-Cyclohexene-1-carboxaldehyde,>;98.0%(GC)(100-50-5)

系列性分类


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