1-Undecanol 十一醇

CAS 112-42-5 MFCD00004751

化学结构图

112-42-5
SMILES: CCCCCCCCCCCO

化学属性

Mol. FormulaC11H24O
Mol. Weight172.31
Refractive index1.4390 to 1.4420
Boiling Point243.2±3.0 °C at 760 mmHg
Density0.830
Melting Point11°C
Flash Point109.0±4.6 °C
TSCAYes
Appearance 无色油状液体。沸点241℃，熔点>;15℃，相对密度0.828-0.834，折射率1.437-1.443，闪点100℃以上，溶于4体积60%乙醇及油质香料中，酸值<;1.0。有淡甜脂蜡香气并带玫瑰花香及柑橘、凤梨样的果香。香味是柑橘果油脂气，柔甜。
pH:A

别名和识别编码

Chemical Name1-Undecanol
MDL NumberMFCD00004751
CAS Number112-42-5
Synonym 1-Undecanol {LY} 1-Undecanol {} {LY} 1-Undecanol {} {} {LY} 1-Undecanol {} {} {} {LY} 1-Undecanol {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Undecanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID8184
EC Number203-970-5
Beilstein Registry Number1698334
Reaxys-RN1698334
Chemical Name Translation十一醇
Wiswesser Line NotationQ11
LabNetwork Molecule IDLN00196428
InChIInChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
Canonical SMILESCCCCCCCCCCCO
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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} Alphabetica
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-Z, Q-Z
  • {SNA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O

产品应用

  • 香料，调制柠檬、柑橘、菠萝和黑醋粟香型香精，用于食品。

相关文献及参考

  • Short: III/47
  • Beilstein:1,427
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H303+H313
  • H315 Causes skin irritation 会刺激皮肤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSYQ3155000
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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.....
  • 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。
  • 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。
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Signal word
Packing GroupIII
UN Number UN3082
Risk Statements
  • R51/53
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
Hazard Codes
Hazard Class9
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4760 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 2/21/1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,695,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/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: 26,269,1944

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 20 mg/disc
REFERENCE :
   OIGZDE Osaka-shi Igakkai Zasshi.  Journal of Osaka City Medical Association.
    (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho,
   Abeno-ku, Osaka, 545, Japan) V.24-    1975- Volume(issue)/page/year:
   34,267,1985

其他信息

  • 毒性分级:中毒
  • 含量分析:按GT-10-4中用极性柱进行气相色谱法分析。
  • 参考质量标准:FCC，1996；FAO/WHO，1997 含量 ≥97.0% 折射率(n D 20 ) 1.437～1.443 相对密度(d 25 25 ) 0.820~0.840
  • 十一醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 U0005 1-十一醇 1-Undecanol 25ML 162元 2014/06/02 U0005 1-十一醇 1-Undecanol 500ML 932元 2010/06/21 140685000 十一醇 1-Undecanol 98% 500 ML 1045元
  • 用途一:应用面不广。常与十一烯醛或其他脂肪醛共用作为醛香头香的协调剂。与花香型、柑橘古龙、金合欢、刺槐、晚香玉、紫罗兰、清香、草香也能很好地协调和合，一般用于玫瑰香基较多。还可少量用于凤梨、柑橘、柠檬、白柠檬、桔子、橙子、黑茶藨子、玫瑰等食用香精中。
  • 用途三:香料，调制柠檬、柑橘、菠萝和黑醋粟香型香精，用于食品。
  • 类别:易燃液体
  • 灭火剂:干粉、泡沫、砂土、水
  • 毒性:GRAS(FEMA)。 LD 50 3000mg/kg(大鼠，经口)。
  • Sigma Aldrich:112-42-5(sigmaaldrich)
  • 无色液体。不溶于水，溶于乙醇等有机溶剂。具有淡甜脂腊香、玫瑰花香和柑橘、菠萝样的果香。
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • 图谱信息:十一醇(112-42-5)红外图谱(IR1) 十一醇(112-42-5)Raman光谱 十一醇(112-42-5)核磁图( 13 CNMR) 十一醇(112-42-5)质谱(MS)
  • 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） 十一醇 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
  • Acros Organics:1-十一醇 1-Undecanol, 98%(112-42-5)
  • FEMA:3097
  • 上游原料:-十一醛 --> 10-十一烯-1-醇
  • 使用限量:FEMA(mg/kg)：软饮料2.9；冷饮15；糖果12；焙烤食品12。 适度为限(FDA§172．515，2000)。
  • 方法一:由十一醛还原而得。 由十一烯醇氢化而得。
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:1-十一醇 1-Undecanol,>;98.0%(GC)(112-42-5)
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用以配制柠檬、橙、白柠檬、橘等柑橘类和菠萝、黑醋栗、玫瑰等型香精。
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • MOL 文件:112-42-5.mol
  • Alfa Aesar:1-十一醇,98% 1-Undecanol, 98%(112-42-5)
  • 急性毒性:口服- 大鼠 LD50: 3000 毫克/ 公斤

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. Q-Z - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C9 to C10 - Alcohols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C11 to C30+ - Alcohols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols
  6. C7 to C8

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