2-Hexenal 反式-2-己烯醛

CAS 6728-26-3 MFCD00007008

化学结构图

6728-26-3
SMILES: CCC/C=C/C=O

化学属性

Mol. FormulaC6H10O
Mol. Weight98.15
Refractive index1.4440 to 1.4470
Vapor Density3.4 (vs air)
Boiling Point47 °C at 17 mmHg
Vapor Pressure10 mmHg ( 20 °C)
Density0.846
Flash Point43°C(lit.)
TSCAYes
Solubility不溶
Appearance 淡黄色液体。呈浓郁新鲜水果、绿叶清香气。有顺式和反式两种异构体。沸点150~152℃,或47℃(2266 Pa),闪点3 7.8℃。溶于乙醇、丙二醇和大多数非挥发性油,极微溶于水。 天然品存在于茶叶、桑叶、萝卜叶等油中及黄瓜、苹果、桃、橙皮、草莓、鸡蛋果、木瓜等中。
Melting Point159.6 °C

别名和识别编码

Chemical Nametrans-2-Hexenal
Synonym Trans-​2-​Hexenal {LY} Trans-​2-​Hexenal hex-2-en-1-al trans-2-hexenal {} {LY} Trans-​2-​Hexenal {} {} {LY} Trans-​2-​Hexenal {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-​2-​Hexenal
MDL NumberMFCD00007008
CAS Number6728-26-3
PubChem Substance ID5281168
EC Number229-778-1
Beilstein Registry Number1699684
Reaxys-RN1699684
Chemical Name Translation反式-2-己烯醛
Wiswesser Line NotationVH1U4 -T
LabNetwork Molecule IDLN00239786
Canonical SMILESCCC/C=C/C=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products, O-Z
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances,
  • {SNA} Aldehydes, Building Blocks, C1 to C6,
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Citrus aurantium (Seville orange), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Sambucus nigra (Elderberry), 细胞生物学, 营养研究

相关文献及参考

  • Beilstein:1(1)382
  • Short: EINECS
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMP5900000
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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • 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。
  • 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
  • P302+P352
  • P302+P352+P312+P361+P364
  • P303+P361+P353
  • 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。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupIII
UN Number 1988
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
  • R21/22 Harmful in contact with skin and if swallowed 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R51/53
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 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
Hazard Codes 3 Xn
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class3/6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 780 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Vascular - regional or general arteriolar or venous dilation
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 9,775,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Vascular - regional or general arteriolar or venous dilation
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 9,775,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Vascular - regional or general arteriolar or venous dilation
   Gastroi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 685 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   YKGKAM Yukagaku.  Oil Chemistry.  (Nippon Yukagaku Kyokai, c/o Yushi Kogyo
   Kaikan, 3-13-11 Nihonbashi, Chuo-ku, Tokyo 103 Japan)  V.5-    1956-
   Volume(issue)/page/year: 26,169,1977

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Human
DOSE/DURATION           : 10 ppm/3D (Continuous)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 390,161,1997

其他信息

  • 方法一:天然品经水蒸气蒸馏法游离而得粗品,再用丙酮抽提精制而得。 由己醛经溴代后与乙二醇反应,再经水解而得。
  • 用途一:GB 2760~96规定为允许使用的食用香料。主要用于配制树莓、芒果、鸡蛋果、苹果、草莓等型香精。
  • MOL 文件:6728-26-3.mol
  • 蒸气压:10 mm Hg ( 20 °C)
  • FEMA:2560
  • 2-已烯醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0345 反-2-己烯醛 trans-2-Hexenal 500ML 2300元 2014/06/02 H0345 反-2-己烯醛 trans-2-Hexenal 25ML 245元 2010/06/21 158131000 2-已烯醛 trans-2-Hexenal 99% 100 ML 1034元
  • TCI Shanghai:反-2-己烯醛 trans-2-Hexenal,>;95.0%(GC)(6728-26-3)
  • 蒸气密度:3.4 (vs air)
  • 图谱信息:2-已烯醛(6728-26-3)质谱(MS) 2-已烯醛(6728-26-3)核磁图( 13 CNMR) 2-已烯醛(6728-26-3)核磁图( 1 HNMR) 2-已烯醛(6728-26-3)红外图谱(IR1)
  • Acros Organics:反式-2-已烯醛 trans-2-Hexenal, 99%(6728-26-3)
  • 用途二:该品具有新鲜的绿叶香味,可用于人造花、精油、各类花香的调合香料。青叶醛的一些衍生物也是香料,例如青叶醛的二甲基缩醛、二乙基缩醛;青叶醛加氢制得的反已烯醇(青叶醇)、氧化制得的反已烯酸-2等。
  • 上游原料:1,1-二乙氧基乙烷 --> 正己醛
  • Hazard Note:Irritant
  • Sigma Aldrich:6728-26-3(sigmaaldrich)
  • Alfa Aesar:反式-2-己烯醛,98% trans-2-Hexenal, 98%(6728-26-3)
  • 方法二:由乙醛经溴化、缩醛化、脱溴化氢、水解制得。
  • 溶于乙醇、二丙撑二醇和不会发性油。不溶于水。

系列性分类


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