2,6-Dimethylhept-5-enal 2,6-二甲基-5-庚烯醛

CAS 106-72-9 MFCD00006981

化学结构图

106-72-9
SMILES: CC(C)=CCCC(C)C=O

化学属性

Mol. FormulaC9H16O
Mol. Weight140.23 g/mol
Refractive index1.4420 to 1.4450
Boiling Point80°C/19mmHg(lit.)
Density0.851
Flash Point62°C(lit.)
TSCAYes
Stability对空气敏感
Appearance 淡黄至黄色油状液体，具有强烈的新鲜甜瓜似清香。不十分稳定。闪点62℃，沸点116～124℃(13.3kPa)。溶于乙醇、丙二醇和非挥发性油，不溶于甘油和水。

别名和识别编码

Chemical Name2,6-Dimethylhept-5-enal
Synonym ,6-Dimethyl hept-5-en-1-al 2 2 6-DIMETHYL-5-HEPTENAL FCC 2,6-DIMETHYL-5-HEPTEN-1-AL 2,6-DIMETHYL-5-HEPTENAL 2,6-DIMETHYL-5-HEPTENAL, TECH., 80% 2,6-DIMETHYLHEPT-5-EN-2-AL 2,6-Dimethyl-2-hepten-7-al 2,6-Dimethyl-2-hepten-7-al; 2,6-Dimethyl-5-hepten-1-al; Melonal 2,6-Dimethyl-5-heptenal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number106-72-9
PubChem Substance ID87567917
EC Number203-427-2
MDL NumberMFCD00006981
Reaxys-RN1745855
Chemical Name Translation2,6-二甲基-5-庚烯醛
Beilstein Registry Number1745855
LabNetwork Molecule IDLN00226533
InChIInChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
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分类

  • {SNA} May contain a suitable antioxidant
  • {SA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A - D,
  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Flavors and Fragrances, H
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料

产品应用

  • 用于日用及食用香精。

相关文献及参考

  • Beilstein: 1,II,802

安全信息

GHS Symbol
WGK Germany2
Hazard Codes
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMJ8797000
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.....
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P305+P351+P338+P337+P313
  • P303+P361+P353
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P305+P351+
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P403+P235
  • P303+
  • P241+P242+P243
Signal word
UN Number 1987 1989
Risk Statements
  • 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
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Storage condition 对空气敏感，密封保存。 Air Sensitive
Packing GroupIII
Hazard Class3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/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:
   13(Suppl),793,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/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:
   13(Suppl),793,1975

其他信息

  • 毒性:GRAS(FEMA)。
  • 2,6-二甲基-5-庚烯醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1413 2,6-二甲基-5-庚烯醛 2,6-Dimethyl-5-heptenal 25ML 266元 2010/05/25 17773 2,6-二甲基-5-庚烯-1-醛 2,6-Dimethyl-5-heptenal 50g 451元 2010/05/25 17773 2,6-二甲基-5-庚烯-1-醛 2,6-Dimethyl-5-heptenal 250g 1582元
  • 参考质量标准:FAO/WHO，1998 含量 ≥85.0％ 折射率(n D 20 ) 1.442～1.447 醇中溶解度(OT-43) lml溶于1mL 95%乙醇；或lml溶于2mL 70%乙醇 相对密度(d 25 25 ) 0.845~0.854 酸值(OT-4) ≤5.0
  • Alfa Aesar:2,6-二甲基-5-庚烯-1-醛 2,6-Dimethyl-5-heptenal(106-72-9)
  • Sigma Aldrich:106-72-9(sigmaaldrich)
  • 敏感性:Air Sensitive
  • FEMA:2389
  • MOL 文件:106-72-9.mol
  • 上游原料:异丁醛 --> 巴豆醛
  • 用途三:用于日用及食用香精。
  • MSDS 信息:2,6-Dimethyl-2-hepten-7-al(106-72-9).msds
  • Hazard Note:Irritant
  • 用途二:GB 2760一96规定为允许使用的食用香料。主要用于配制甜瓜、黄瓜和热带水果型香精。
  • 具新鲜甜瓜香气。不溶于水，溶于酒精。
  • 使用限量:FEMA(mg/kg)：软饮料2.8；冷饮1.7；糖果8.4；焙烤食品19；布丁类0.02～10；胶
  • 含量分析:准确称取试样约1g。然后按醛含量测定法(OT-7-1)进行。计算中的当量因子(e)取14.01。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 2，6-二甲基-5-庚烯醛 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • TCI Shanghai:2,6-二甲基-5-庚烯醛 2,6-Dimethyl-5-heptenal,>;70.0%(GC)(106-72-9)
  • 方法一:由异丁醛和β-甲基丁烯醛缩合后局部氢化而成。
  • 用途一:用作日用及食用香精

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - 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. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C9 - Aldehydes

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