3-Octanol 3-辛醇

CAS 589-98-0 MFCD00004590

化学结构图

589-98-0
SMILES: CCCCCC(O)CC

化学属性

Mol. FormulaC8H18O
Mol. Weight130.23
Refractive index1.4250 to 1.4280
Boiling Point174176°C at 760 mmHg
Density0.818
Vapor Density~4.5 (vs air)
Vapor Pressure~1 mmHg ( 20 °C)
Flash Point68°C(lit.)
TSCAYes
Melting Point-45 °C
Appearance 无色油状液体。呈玫瑰和橙似香气,并具有辛辣的脂肪气。沸点195℃,熔点-15.4~-16.3℃,闪点81℃。溶于乙醇、丙二醇、大多数非挥发性油和矿物油,难溶于水(0.05%),不溶于甘油。 天然品存在于苦橙、柚、甜橙、绿茶、紫罗兰叶等10余种精油中。

别名和识别编码

Chemical Name3-Octanol
Synonym 3-Octanol {LY} 3-Octanol {} {LY} 3-Octanol {} {} {LY} 3-Octanol {} {} {} {LY} 3-Octanol {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number589-98-0
PubChem Substance ID11527
EC Number209-667-4
Beilstein Registry Number1(1)208
MDL NumberMFCD00004590
Reaxys-RN1719307
Chemical Name Translation3-辛醇
Wiswesser Line NotationQY5&2
LabNetwork Molecule IDLN00196086
InChIInChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
Canonical SMILESCCCCCC(CC)O
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分类

  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O-P
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances,

相关文献及参考

  • Vapor Phase 3 , 169:C
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/13A1 Title: Vapor-Liquid Equilibrium in Mixtures and Solutions. Binary Liquid Systems of Nonelectrolytes. Part 1 Author: Wichterle, I.; Linek, J.; Wagner, Z.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V. Editor: Kehiaian, H.V. Source: Landolt-Börnstein, New Series Volume: IV/13A1 Year: 2007 Keyword: Activity coefficients; Excess Gibbs energy; Mixtures; Nonelectrolytes; Solutions; Vapor-liquid equilibria ISBN: 978-3-540-49314-3 (Print) ISBN: 978-3-540-49315-0 (Online) Internet Resource: doi: 10.1007/978-3-540-49315-0 RefComment: X, 571 p. 820 illus. With CD-ROM., Hardcover RefComment: Written for: Scientists and engineers in the field of physical chemistry, organic chemistry, inorganic chemistry, biochemistry, applied chemistry Abstract: This volume is a compilation of vapor–liquid equilibrium data on subcritical binary single-phase or two-phase liquid–liquid systems. All the components are well-defined pure substances, which are organic or inorganic nonelectrolytes, including low-melting ionic liquids and water. The present database contains numerical data for 3316 systems. The book reproduces in tables and graphs the numerical values f

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H227 Combustible liquid 可燃液体
  • 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSRH0855000
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。
  • P264+P265
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
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 Wear suitable protective clothing 穿戴适当的防护服;
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: 17,881,1979

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: 17,881,1979

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:589-98-0(sigmaaldrich)
  • 方法一:由辛酸酯(如辛酸甲酯)与金属钠在乙醇溶液中还原而得。
  • 蒸气压:~1 mm Hg ( 20 °C)
  • 上游原料:钠 --> 辛酸 --> 辛酸甲酯
  • 蒸气密度:~4.5 (vs air)
  • Acros Organics:辛醇 DL-3-Octanol, 97%(589-98-0)
  • 辛醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K7487001 3-辛醇;乙基戊基甲醇; 3-羟基辛烷 50ml 459元 2011/04/16 O0121 3-辛醇 3-Octanol 500ML 2760元 2011/04/16 O0121 3-辛醇 3-Octanol 25ML 342元
  • TCI Shanghai:3-辛醇 3-Octanol,>;98.0%(GC)(589-98-0)
  • 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
  • Alfa Aesar:3-辛醇,99% 3-Octanol, 97%(589-98-0)
  • FEMA:3581
  • MOL 文件:589-98-0.mol

系列性分类


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