3-Methyl-2-butenal 3-甲基巴豆醛

CAS 107-86-8 MFCD00010291

化学结构图

107-86-8
SMILES: CC(C)=CC=O

化学属性

Mol. FormulaC5H8O
Mol. Weight84.12
Refractive index1.4600 to 1.4640
Boiling Point136 °C at 760 mmHg
Vapor Pressure7 mmHg ( 20 °C)
Density0.878
Flash Point37°C(lit.)
TSCAYes
Melting Point-20 °C
Solubility可溶

别名和识别编码

Chemical Name3-Methyl-2-butenal
MDL NumberMFCD00010291
CAS Number107-86-8
Synonym 3-Methyl-2-butenal {LY} 3-Methyl-2-butenal {} {LY} 3-Methyl-2-butenal {} {} {LY} 3-Methyl-2-butenal {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-butenal
PubChem Substance ID61020
EC Number203-527-6
Beilstein Registry Number1734740
Merck Number8448
Reaxys-RN1734740
Chemical Name Translation3-甲基巴豆醛
LabNetwork Molecule IDLN00007109
InChIInChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
Canonical SMILESC/C(C)=C\C=O
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {SNA} Aldehydes,
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Humulus lupulus (Hops), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究

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

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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+P242+P243
  • 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。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P312+P330
  • P302+P352+P333+P313+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupIII
UN Number 1989 UN2929
Risk Statements
  • R10 Flammable 易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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；
  • S36/37/39 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；
Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen 0-10°C 2-8°C Air Sensitive {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored un
Hazard Codes 3 C
Hazard Class3

其他信息

  • 用量(通常/最大，mg/kg):焙烤食品：1.5/7.5 冰冻奶制品：0.75/3.75 果冰：0.75/3.75；果冻、布丁：1.0/5.0 软饮料：0.5/2.5 硬糖：2.5/12.5；糖果：1.25/7.25 果酱：1.0/5.0；口香糖：10.0/50.0 软糖：1.25/7.25
  • 来源途径:天然存在于黑加仑、可可、煮熟的鸡肉、葡萄、白兰地、覆盆子和小麦面包中，属天然等同香料。
  • 爆炸极限:空气中1.8％～7％（体积）
  • Sigma Aldrich:107-86-8(sigmaaldrich)
  • TCI Shanghai:3-甲基-2-丁烯醛 3-Methyl-2-butenal,>;95.0%(GC)(107-86-8)
  • 辛醇/水分配系数的对数值:0.53
  • 外观:无色至黄色液体，有刺鼻气味。
  • F:9-13-23
  • 下游产品:6-甲氧基-2-甲基喹啉
  • FEMA:3646
  • 用途一:3-甲基-2-丁烯醛（107-86-8）用于樱桃、覆盆子、黑醋栗、面包、鸡肉、白兰地、红莓、葡萄、坚果、甜瓜等香精中。
  • 环境数据:3-甲基-2-丁烯醛（107-86-8）对水生生物是有害的。
  • MSDS 信息:Prenal(107-86-8).msds
  • 3-甲基-2-丁烯醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0770 3-甲基-2-丁烯醛 3-Methyl-2-butenal 25ML 1130元 2010/06/21 370180050 3-甲基-2-丁烯醛 3-Methyl-2-butenal 97% 5 ML 783元 2010/06/21 370180250 3-甲基-2-丁烯醛 3-Methyl-2-butenal 97% 25 ML 2118元
  • 蒸气压:7 mm Hg ( 20 °C)
  • 敏感性:Air Sensitive
  • Alfa Aesar:3-甲基-2-丁醛,97% 3-Methyl-2-butenal, 97%(107-86-8)
  • MOL 文件:107-86-8.mol
  • 图谱信息:3-甲基-2-丁烯醛(107-86-8)质谱(MS) 3-甲基-2-丁烯醛(107-86-8)核磁图( 1 HNMR) 3-甲基-2-丁烯醛(107-86-8)红外图谱(IR1) 3-甲基-2-丁烯醛(107-86-8)核磁图( 13 CNMR)
  • Acros Organics:3-甲基-2-丁烯醛 3-Methyl-2-butenal, 97%(107-86-8)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C1 to C6 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes

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