1-Heptanol 正庚醇

CAS 111-70-6 MFCD00002986

化学结构图

111-70-6
SMILES: CCCCCCCO

化学属性

Mol. FormulaC7H16O
Mol. Weight116.20
Refractive index1.4230 to 1.4250
Boiling Point176 °C at 760 mmHg
Density0.822
Melting Point-36 °C
Flash Point71°C(lit.)
TSCAYes
Autoignition Point662 °F
Vapor Pressure0.5 mmHg ( 20 °C)
Solubility微溶于水,溶于乙醇、乙醚。
pH:A

别名和识别编码

Chemical Name1-Heptanol
Synonym 1-Heptanol {LY} 1-Heptanol {} {LY} 1-Heptanol {} {} {LY} 1-Heptanol {} {} {} {LY} 1-Heptanol {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {
CAS Number111-70-6
PubChem Substance ID87570490
EC Number203-897-9
Beilstein Registry Number1731686
MDL NumberMFCD00002986
Reaxys-RN1731686
Merck Number4661
Chemical Name Translation正庚醇
Wiswesser Line NotationQ7
LabNetwork Molecule IDLN00199656
Canonical SMILESCCCCCCCO
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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} Alcoholic & Nonalcoholic Beverages, Alcohols, Aliphatic, All Alphabetically Sorted, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products,
  • {SNA} Alphabetical Listings,
  • {SNA} A-L,
  • {SNA} Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-H, Flavors and Fragrances, G-H, H-J, Kosher Certified Products
  • {SNA} Alcoholic & Nonalcoholic Beverages, Alcohols,

产品应用

  • 有机合成中间体。溶剂。香料。

相关文献及参考

  • Short: II/27B
  • Merck:14,4661 Beilstein:1,414
  • Short: II/5
  • Merck:14,4661
  • Short: III/38A

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H312
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xi
RTECSMK0350000
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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P330
  • P302+P350
  • P302+P352+P312+P362+P364
  • P305+P351+P338
  • P332+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • 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;
  • 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;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
Risk Statements
  • 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
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room te
Packing GroupIII
Hazard Class6.1(b)
UN Number 2810
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 4350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
   AMPMAR Archives des Maladies Professionnelles de Medecine du Travail et de
   Securite Sociale.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.7-    1946-
   Volume(issue)/page/year: 35,501,1974

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 6600 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6600 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,72

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 182,135,1987

其他信息

  • Alfa Aesar:1-庚醇,99% 1-Heptanol, 99%(111-70-6)
  • MSDS 信息:正庚醇(111-70-6).msds
  • 毒性分级:中毒
  • 用途三:可微量用于香石竹、茉莉、辛香型、东方香型、防风根型及柑橘香型中。也可用于椰子和果香复方等的食用香精中。
  • TCI Shanghai:1-庚醇 1-Heptanol,>;98.0%(GC)(111-70-6)
  • 使用
  • 下游产品:调聚酸钾盐 --> 1-碘庚烷 --> 尼泊金庚酯 --> 异丁酸庚酯 --> 辛酸庚酯 --> 甲酸庚酯 --> 5-甲基-3-庚酮 --> 丁酸庚酯
  • 外观性质:无色透明的液体, 有芳香气味。
  • 上游原料:正戊烷 --> 铁屑 --> 庚醛
  • 职业标准:STEL 10 毫克/ 立方米
  • 参考质量标准:FCC,1996;FAO/WHO,1997 含量 ≥97.0% 相对密度(d 25 25 ) 0.820~0.824 酸值(OT-4) ≤1.0 含醛量(以庚醛计) ≤1.0% 折射率( D 20 ) 1.423~1.427 醇中溶解度 lml溶于2mL60%乙醇
  • FEMA:2548
  • 类别:易燃液体
  • 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) 正庚醇 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
  • 含量分析:按总醇量测定法(OT-5)分析。所取试样量为1g。计算中的当量因子(e)取58.10。 或按GT-10-4气相色谱法中用非极性柱测定。
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃;燃烧排放刺激烟雾
  • 海关编码:29051900
  • 正庚醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 40027062 正庚醇 2ml 38元 2011/08/23 30097281 正庚
  • {C
  • 毒性:GRAS(FEMA)。 LD 50
  • MOL 文件:111-70-6.mol
  • 毒性:GRAS(FEMA)。 LD 50 500mg/kg(
  • 图谱信息:正庚醇(111-70-6)红外图谱(I
  • 储运特性:库房通风低温干燥
  • 用途二:用于有机合成
  • 急性毒性:口服- 大鼠 LD50: 500 毫克/ 公斤; 口服- 小鼠 LD50: 1500 毫克/ 公斤
  • 正庚醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 40027062 正庚醇 2ml 38元 2011/08/23 30097281
  • 用途七:有机合成中间体。溶剂。香料。
  • 灭火剂:泡沫、二氧化碳、干粉、砂土、1211
  • 方法二:由正庚醛还原而得。将1.8kg铁屑、3L水和0.45kg庚醛一起搅拌,加热回流6-7h,然后进行水蒸汽蒸馏,约得馏出物7-8L,分出油层,加入1L20%的氢氧庚酯水解。分现油层进行蒸馏,收集172-176℃馏分,可得约350g庚醇。还原反应也可在稀盐酸存在下进行。另外,戊烷与环氧乙烷在无水溴化铝存在下反应,也可制得庚醇。
  • 用途五:用作溶剂,用于香料制备和有机合成。
  • 用途一:用作溶剂,也用于香料制备及有机合成
  • 图谱信息:正庚醇(111-70-6)红外图谱(IR2) 正庚醇(111-70-6)红外图谱(IR1) 正庚醇(111-70-6)Raman光谱 正庚醇(111-70-6)核磁图( 13 CNMR) 正庚醇(111-70-6)质谱(MS)

系列性分类


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