Trans-2-Hexen-1-ol 反式-2-己烯-1-醇

CAS 928-95-0 MFCD00002927

化学结构图

928-95-0
SMILES: CCC/C=C/CO

化学属性

Mol. FormulaC6H12O
Mol. Weight100.16
Refractive index1.4360 to 1.4390
Boiling Point158-160 °C at 760 mmHg
Density0.849
Flash Point61°C(lit.)
TSCAYes
Appearance 几乎为无色液体。具有强烈未成熟果实气味。沸点158℃，闪点53.9℃。溶于乙醇，丙二醇和大多数非挥发性油，极微溶于水。
Solubility略溶于水
Melting Point54.63 °C

别名和识别编码

Chemical NameTrans-2-Hexen-1-ol
Synonym (E)-Hex-2-en-1-ol {LY} (E)-Hex-2-en-1-ol {} {LY} (E)-Hex-2-en-1-ol {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-ol
MDL NumberMFCD00002927
CAS Number928-95-0
PubChem Substance ID87570762
EC Number213-191-2
Beilstein Registry Number1719709
Chemical Name Translation反式-2-己烯-1-醇
Reaxys-RN1719709
Wiswesser Line NotationQ2U4 -T
LabNetwork Molecule IDLN00236246
Canonical SMILESCCC/C=C/CO
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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
  • {SNA} Acyclic, Alkenes, Building Blocks, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {SNA} Acyclic, Alkenes, Building Blocks, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Nutrition Research, Organic Building Blocks,
  • {SNA} Acyclic, Alkenes, Building Blocks, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb),
  • {SN

产品应用

  • trans-2-Hexen-1-ol was used to evaluate the quality of protected designation of virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was also used in encapsulation of vanadium catalysts in inorganic and hybrid matrices using sol-gel method

相关文献及参考

  • For silylation and conversion to azides, nitriles and sulfones, see: J. Org. Chem., 55, 3274 (1990).
  • Short: EINECS
  • Beilstein: 1,IV,2138
  • Short: III/38B
  • Short: IV/8G

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • 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
RTECSMP8390000
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • 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。
  • P332+P313
  • P370+P378
  • P305+P351
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338+P337+P313
  • P302+P350
Signal word
Packing GroupIII
UN Number UN1987
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
  • R36 Irritating to eyes 刺激眼睛
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；
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           : 3500 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: 12,911,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4500 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: 12,911,1974

其他信息

  • 上游原料:山梨酸 --> 3-已炔-1-醇
  • 参考质量标准:FCC，1997 含量 ≥95.0% 折射率(n D 20 ) 1.436~1.441 相对密度(d 25 25 ) 0.836~0.841
  • 用途一:GB 2760-96规定为允许使用的食用香料。主要用以配制苹果等水果型香精。
  • 方法一:用Pd—CaCO3催化还原3-己炔-1-醇，得顺、反式混合体，再分馏而得。 用金属钠和乙醇还原2，4-己二烯酸而得。
  • 使用限量:FEMA(mg/kg)：软饮料1.0；冷饮0.63；糖果3.8；焙烤食品4.1。 适度为限(FDA§172．515，2000)。
  • 含量分析:按GT-10-4中用极性柱进行气相色谱分析。
  • 反式-2-己烯-1-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 H0346 反-2-己烯-1-醇 trans-2-Hexen-1-ol 25G 260元 2014/06/02 H0346 反-2-己烯-1-醇 trans-2-Hexen-1-ol 250G 1320元 2010/06/21 158140250 反式-2-己烯-1-醇 trans-2-Hexen-1-ol 96% 25 ML 275元
  • 图谱信息:反式-2-己烯-1-醇(928-95-0)核磁图( 13 CNMR) 反式-2-己烯-1-醇(928-95-0)红外图谱(IR2) 反式-2-己烯-1-醇(928-95-0)核磁图( 1 HNMR) 反式-2-己烯-1-醇(928-95-0)质谱(MS) 反式-2-己烯-1-醇(928-95-0)红外图谱(IR1) 反式-2-己烯-1-醇(928-95-0)Raman光谱
  • 毒性:GRAS(FEMA)。 LD 50 3500mg/kg(大鼠，经口)。
  • 微溶于水.
  • FEMA:2562
  • Sigma Aldrich:928-95-0(sigmaaldrich)
  • Acros Organics:反式-2-已烯-1-醇 trans-2-Hexen-1-ol, 96%(928-95-0)
  • MOL 文件:928-95-0.mol
  • TCI Shanghai:反-2-己烯-1-醇 trans-2-Hexen-1-ol,>;95.0%(GC)(928-95-0)
  • Alfa Aesar:反式-2-己烯-1-醇,97% trans-2-Hexen-1-ol, 97%(928-95-0)

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. G-H - 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. 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

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