Heptyl methyl ketone 2-壬酮

CAS 821-55-6 MFCD00009553

化学结构图

821-55-6
SMILES: CCCCCCCC(C)=O

化学属性

Mol. FormulaC9H18O
Mol. Weight142.24
Density0.82
Refractive index1.4190 to 1.4230
Boiling Point192 °C at 743 mmHg
Melting Point-21 °C
Flash Point76°C(lit.)
TSCAYes
SolubilityCA 0.5 G/L
Appearance 无色至淡黄色液体。呈水果、花、油脂和药草似香气。沸点195℃。溶于乙醇、丙二醇和油脂，不溶于水。

别名和识别编码

Chemical NameHeptyl methyl ketone
Synonym Heptyl methyl ketone {LY} Heptyl methyl ketone {} {LY} Heptyl methyl ketone {} {} {LY} Heptyl methyl ketone {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number821-55-6
EC Number212-480-0
Beilstein Registry Number1,709
MDL NumberMFCD00009553
PubChem Substance ID87573651
Chemical Name Translation2-壬酮
Reaxys-RN1743645
Wiswesser Line Notation7V1
LabNetwork Molecule IDLN00221939
Canonical SMILESCC(CCCCCCC)=O
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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
  • {SA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Humulus lupulus (Hops), Ketones, Nutrition Research,
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Humulus lupulus (Hops),
  • {SNA} A-D,

相关文献及参考

  • Short: IV/10A
  • Beilstein:1,709
  • Short: III/38B

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
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
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.....
  • 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
  • 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+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。
  • P302+P352+P332+P313+P362+P364
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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRA8225000
Hazard Codes Xn Xi Xi,Xn
UN Number 1993 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7994 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 30,13,1986

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3980 mg/m3/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,393,1988

Storage condition

其他信息

  • TCI Shanghai:2-壬酮 2-Nonanone,>;98.0%(GC)(821-55-6)
  • FEMA:2785
  • Alfa Aesar:2-壬酮,98+% 2-Nonanone, 98+%(821-55-6)
  • 用途一:GB 2760--1996规定为允许使用的食用香料。
  • 毒性:GRAS(FEMA；FDA，§172．515，2000)。
  • 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-壬酮 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
  • 方法一:由甲基庚基原醇用铬酸在室温下氧化而成。
  • 不溶于水，溶于乙醇和丙酮，水溶性:0.5 g/L。
  • MOL 文件:821-55-6.mol
  • Acros Organics:2-壬酮 2-Nonanone, 99+%(821-55-6)
  • 海关编码:29141990
  • 2-壬酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 A10873102 2-壬酮;甲基庚基酮; 2-酮基壬烷 100g 576元 2011/08/23 30136281 2-壬酮;甲基庚基酮; 2-酮基壬烷 100ml 501.9元 2011/04/16 N0293 2-壬酮 2-Nonanone 25ML 182元
  • 使用限量:FEMA(mg/kg)：饮料0.55；冰淇淋0.10～1.0；糖果和焙烤食品，0.40～4.0。 适度为限(FDA，§172．515，2000)。
  • MSDS 信息:2-Nonanone(821-55-6).msds
  • 图谱信息:2-壬酮(821-55-6)核磁图( 13 CNMR) 2-壬酮(821-55-6)红外图谱(IR1) 2-壬酮(821-55-6)Raman光谱 2-壬酮(821-55-6)核磁图( 1 HNMR) 2-壬酮(821-55-6)质谱(MS)
  • 含量分析:按气液色谱法(GT-10-4)用极性柱进行测定。
  • Sigma Aldrich:821-55-6(sigmaaldrich)
  • 参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥97.0% 折射率 1.418～1.423 相对密度 0.817~0.823 醇中溶解度 lml溶于lmL 95%乙醇

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. M-N - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Zingiber officinale (Ginger) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Potable- & Waste-Water Testing - Analytical Reagents
  4. Photometers - Potable- & Waste-Water Testing
  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. Ketones - 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. Ketones - Carbonyl Compounds
  6. C9 - Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. N - Alphabetic
  5. NJ - NZ - N
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. M-R - Flavors and Fragrances
  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. Ketones 酮
  6. C7 to C8

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