Diisobutylcarbinol 2,6-二甲基-4-庚醇

CAS 108-82-7 MFCD00008944

化学结构图

108-82-7
SMILES: CC(C)CC(O)CC(C)C

化学属性

Mol. FormulaC9H20O
Mol. Weight144.25
Density0.809 g/mL at 25 °C(lit.)
Refractive index1.4210 to 1.4250
Boiling Point178 °C at 760 mmHg
Flash Point74°C(lit.)
Solubility不溶
Appearance 无色液体。沸点178℃或79℃(2000Pa),闪点66℃。不溶于水,溶于乙醇和乙醚。 天然品存在于白和红葡萄酒中。
Melting Point-65.15 °C

别名和识别编码

Chemical NameDiisobutylcarbinol
CAS Number108-82-7
Synonym Diisobutyl carbinol {LY} Diisobutyl carbinol {} {LY} Diisobutyl carbinol {} {} {LY} Diisobutyl carbinol {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diisobutyl carbinol
MDL NumberMFCD00008944
PubChem Substance ID87567368
EC Number203-619-6
Reaxys-RN1733804
Chemical Name Translation2,6-二甲基-4-庚醇
Wiswesser Line Notation1Y1&1YQ1Y1&1
Beilstein Registry Number1733804
LabNetwork Molecule IDLN00200534
Canonical SMILESCC(C)CC(O)CC(C)C
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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} Alcohols, Building Blocks, C9 to C10, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; alcohol; 1fragment
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SA} Alphabetical Listings, C-D, Flavors and Fragrances
  • Aliphatics

产品应用

  • Diisobutylcarbinol is used as a fragrance ingredient.

相关文献及参考

  • McGinty, D., et al.: Food Chem. Toxicol., 48, 89 (2010);
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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

安全信息

WGK Germany2
RTECSMJ3325000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Safety Statements
  • 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;
  • 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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
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。
  • 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。
  • 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。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3530 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: -,4,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3560 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,22,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,22

Storage condition

其他信息

  • 毒性:GRAS(FEMA)。
  • 用途一:GB 2760--1997规定为允许使用的食品用香料。
  • 使用限量:FEMA:软饮料、冷饮、糖果、布丁类、胶姆糖,均20.0mg/kg。
  • 毒性分级:中毒
  • Sigma Aldrich:108-82-7(sigmaaldrich)
  • 参考质量标准:FAO/WHO,1998 含量(GT-10-4) ≥90.0% 折射率(n D 20 ) 1.422~1.424 相对密度(d 4 20 ) 0.809~0.815
  • 图谱信息:二异丁基甲醇(108-82-7)红外图谱(IR1)
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 轻度; 眼睛- 兔子 83 毫克 重度
  • 二异丁基甲醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0732 2,6-二甲基-4-庚醇 2,6-Dimethyl-4-heptanol 500ML 885元 2014/06/02 D0732 2,6-二甲基-4-庚醇 2,6-Dimethyl-4-heptanol 25ML 230元
  • 灭火剂:干粉、泡沫、砂土、水
  • MOL 文件:108-82-7.mol
  • TCI Shanghai:2,6-二甲基-4-庚醇 2,6-Dimethyl-4-heptanol,>;85.0%(GC)(108-82-7)
  • 方法一:由二异丁基甲酮催化氢化而成。
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • 储运特性:库房通风低温干燥
  • 急性毒性:口服- 大鼠 LD50:3560 毫克/ 公斤; 口服- 小鼠 LD50: 3560 毫克/ 公斤
  • 类别:易燃液体
  • MSDS 信息:Diisobutylcarbinol(108-82-7).msds
  • FEMA:3140

系列性分类


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