3-Octanone 3-辛酮

CAS 106-68-3 MFCD00009515

化学结构图

106-68-3
SMILES: CCCCCC(=O)CC

化学属性

Mol. FormulaC8H16O
Mol. Weight128.22
Refractive index1.4130 to 1.4160
Boiling Point167-168
Density0.822
Flash Point54°C(lit.)
TSCAYes
Melting Point-23
Solubility0.7 G/L

别名和识别编码

Chemical Name3-Octanone
MDL NumberMFCD00009515
CAS Number106-68-3
Synonym 3-OCTANONE OEKANAL 3-Octanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87574127
EC Number203-423-0
Beilstein Registry Number1700021
Merck Number6753
Chemical Name Translation3-辛酮
Reaxys-RN1700021
Wiswesser Line Notation5V2
LabNetwork Molecule IDLN00225404
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Lavandula angustifolia (Lavendar tea), Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P,

相关文献及参考

  • Merck:14,6084
  • Short: III/38B
  • Short: EINECS
  • Short: IV/6
  • Short: IV/16
  • Short: IV/20B
  • Merck:14,6084 Beilstein:1,706

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRH1485000
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+P242+P243
  • 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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Packing GroupIII
UN Number 2271
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
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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
  • 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；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
Hazard Codes 3
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 406 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,5,1961

其他信息

  • 可燃性危险特性:易燃
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • 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） 3-辛酮 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
  • 职业标准:TWA 130 毫克/立方米
  • 刺激数据:皮肤-兔子 500 毫克/24小时 中度
  • Hazard Note:Irritant
  • 急性毒性:腹注-小鼠 LD50: 406 毫克/公斤
  • 参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥98.0% 折射率(n D 20 ) 1.413～1.418 相对密度(d 4 23 ) 0.817~0.821 醇中溶解度 lml溶于3mL70%乙醇
  • Acros Organics:3-辛酮 3-Octanone, 99%(106-68-3)
  • Sigma Aldrich:106-68-3(sigmaaldrich)
  • 爆炸物危险特性:蒸气与空气混合可爆
  • 3-辛酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0122 3-辛酮 3-Octanone 500ML 1470元 2014/06/02 O0122 3-辛酮 3-Octanone 25ML 202元 2010/05/25 A12113 3-辛酮, 98% 3-Octanone, 98% 25g 234元
  • 毒性分级:中毒
  • 类别:易燃液体
  • 使用限量:FEMA(mg/kg)：软饮料3.3；冷饮10；焙烤制品11.0。 FDA(§172．515，2000)：适度为限。
  • FEMA:2803
  • MOL 文件:106-68-3.mol
  • TCI Shanghai:3-辛酮 3-Octanone,>;98.0%(GC)(106-68-3)
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • 用途一:用作溶剂
  • 图谱信息:3-辛酮(106-68-3)核磁图( 13 CNMR) 3-辛酮(106-68-3)质谱(MS) 3-辛酮(106-68-3)红外图谱(IR1) 3-辛酮(106-68-3)Raman光谱 3-辛酮(106-68-3)核磁图( 1 HNMR) 3-辛酮(106-68-3)红外图谱(IR2)
  • 毒性:GRAS(FEMA)。 LD 50 @＞5g/kg(大鼠，口服)。
  • 下游产品:3-辛醇
  • Alfa Aesar:3-辛酮,98% 3-Octanone, 98%(106-68-3)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. O-Z - Kosher Certified Products
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ocimum basilicum (Basil) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. O - Alphabetic
  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. C7 to C8 - Ketones
  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. Food Products & Beverages - Flavors and Fragrances
  8. Herbs & Spices - Food Products & Beverages
  9. Bergamot - Herbs & Spices