3,3-Dimethylallyl alcohol 异戊烯醇

CAS 556-82-1 MFCD00002916

化学结构图

556-82-1
SMILES: CC(C)=CCO

化学属性

Mol. FormulaC5H10O
Mol. Weight86.13
Density0.848 g/mL at 25 °C(lit.)
Refractive index1.4400 to 1.4440
Boiling Point140°C at 760 mmHg
Vapor Pressure1.4 mmHg ( 20 °C)
Flash Point43°C
TSCAYes
Solubility170 G/L (20 ºC)
Appearance 本品为无色透明液体，带有浓酯香味，b.p.140℃(52～56℃/2.67kpa)，n 1.4160，相对密度 0.8240，不溶于水，溶于醇、乙醚等有机溶剂。 D 20
Melting Point43.52 °C

别名和识别编码

Chemical Name3,3-Dimethylallyl alcohol
Synonym 3-Methyl-2-buten-1-ol {LY} 3-Methyl-2-buten-1-ol {} {LY} 3-Methyl-2-buten-1-ol {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-buten-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number556-82-1
EC Number209-141-4
Beilstein Registry Number1,444
MDL NumberMFCD00002916
PubChem Substance ID11173
Reaxys-RN741871
Chemical Name Translation异戊烯醇
Wiswesser Line NotationQ2UY1&1
LabNetwork Molecule IDLN00196563
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
Canonical SMILESC/C(C)=C\CO
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分类

  • {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Lavandula angustifolia (Lavendar tea), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 拟除虫菊酯类杀虫剂
  • {SNA} Acyclic, Alkenes, Building Blocks,

产品应用

  • 用于有机合成。

相关文献及参考

  • Reagent for protection of carboxylic acids as their 3-methyl-2-buten-1-yl (Prenyl) esters. Removal can be effected under mild conditions using iodine in cyclohexane: Tetrahedron Lett., 35, 1539 (1994).
  • Short: III/35E
  • Short: IV/20B
  • Beilstein:1,444
  • Short: III/38B

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S37 Wear suitable gloves 戴适当手套；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P264+P265
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P301+P312+P330
  • P301+P317
  • P301+P330+P331
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P308+P316
  • P309+P311
  • 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。
  • P316
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • 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
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEM9472500
Packing GroupIII
UN Number 1987
Hazard Codes
Hazard Class3
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 810 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,895,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,895,1979

其他信息

  • 异戊烯醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0714 3-甲基-2-丁烯-1-醇 3-Methyl-2-buten-1-ol 25ML 198元 2014/06/02 M0714 3-甲基-2-丁烯-1-醇 3-Methyl-2-buten-1-ol 500ML 1090元 2010/06/21 171921000 3-甲基-2-丁烯-1-醇 3-Methyl-2-buten-1-ol 99% 100 GR 676元
  • 方法一:该产品可以用异丁烯与甲醛反应得到。在不锈钢高压釜中加入95％聚甲醛，以磷酸氢二钠为催化剂，加叔丁醇后，再以氮气置换反应器的空气，然后加入异丁烯，在搅拌下加热至200℃反应4h，然后冷却出料蒸馏得3-甲基-2-丁烯醇，收率可达85％。 也可以用异戊二烯为原料与氯化氢反应，转位得到1-氯-3-甲基丁烯-2，后者放在反应器中加入乙酸钠水溶液，搅拌，反应温度控制在100～110℃，反应3～4h，分层得到异戊烯醇乙酸酯，向异戊烯醇乙酸酯内加入30％氢氧化钠溶液，加热回流3h，分层，有机层蒸馏，收集52～58℃/2.7×10 3 Pa馏分为异戊烯醇，收率为80％。
  • Alfa Aesar:3-甲基-2-丁烯-1-醇,98+% 3-Methyl-2-buten-1-ol, 98+%(556-82-1)
  • 上游原料:叔丁醇 --> 多聚甲醛 --> 异丁烯 --> 异戊二烯 --> 3-甲基-1-丁烯
  • 图谱信息:3-甲基-2-丁烯-1-醇(556-82-1)Raman光谱 3-甲基-2-丁烯-1-醇(556-82-1)质谱(MS) 3-甲基-2-丁烯-1-醇(556-82-1)红外图谱(IR1)
  • 水中溶解度:170 g/l (20 C)，和大多数常规有机溶剂互溶。
  • Sigma Aldrich:556-82-1(sigmaaldrich)
  • 蒸气压:1.4 mm Hg ( 20 °C)
  • Acros Organics:异戊烯醇 Prenol, from sea buckthorn, 80 mg/ml solution in CCl4(556-82-1)
  • MOL 文件:556-82-1.mol
  • 水中溶解度:170 g/l (20 C)，和大多数常规有机溶剂互溶
  • 用途一:3-甲基-2-丁烯醇即异戊烯醇，是合成二氯菊酸的重要中间体。
  • MSDS 信息:Prenyl alcohol(556-82-1).msds
  • TCI Shanghai:3-甲基-2-丁烯-1-醇 3-Methyl-2-buten-1-ol,>;98.0%(GC)(556-82-1)
  • 海关编码:29052990
  • FEMA:3647
  • 下游产品:3-(2,2-二氯乙烯基)-2,2-二甲基环丙基羧酸甲基酯 --> 氟氯氰菊酯 --> 二氯菊酸乙酯 --> 3,3-二甲基-4-戊烯酸甲酯

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  5. Acyclic - Alkenes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  5. Acyclic - Alkenes
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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