1-Octen-3-ol 1-辛烯-3-醇

CAS 3391-86-4 MFCD00004589

化学结构图

3391-86-4
SMILES: C=CC(O)CCCCC

化学属性

Mol. FormulaC8H16O
Mol. Weight128.22
Density0.83
Refractive index1.4350 to 1.4390
Flash Point61.1°C
TSCAYes
Boiling Point168.4°C at 760 mmHg
Melting Point-49 °C
Appearance 无色液体。 不溶于水。溶于乙醇等有机溶剂。
Solubility不溶于水。溶于乙醇等有机溶剂。

别名和识别编码

Chemical Name1-Octen-3-ol
Synonym Oct-1-en-3-ol {LY} Oct-1-en-3-ol {} {LY} Oct-1-en-3-ol {} {} {LY} Oct-1-en-3-ol {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oct-1-en-3-ol {} {} {} {} {} {} {} {} {} {} {}
CAS Number3391-86-4
EC Number222-226-0
Beilstein Registry Number1744110
MDL NumberMFCD00004589
PubChem Substance ID18827
Chemical Name Translation1-辛烯-3-醇
Reaxys-RN1720733
Wiswesser Line NotationQY5&1U1
LabNetwork Molecule IDLN00193159
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
Canonical SMILESC=CC(O)CCCCC
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Lavandula angustifolia (Lavendar tea), Nutrition Research, Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb)
  • {S
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P, O-Z
  • {SNA} Alphabetical Listings,
  • {SNA} Acyclic,

产品应用

  • 用于日化和食用香精,亦可用于配制人造精油、重组精油或制成酯类香料。

相关文献及参考

  • Short: EINECS
  • Short: IV/20B
  • Beilstein: 1,IV,2163

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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;
  • 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;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R52/53
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P301+P312+P330
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSRH3300000
Packing GroupIII
UN Number UN2810 2810
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
Hazard Class6.1(b)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 340 mg/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: 14,681,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02545

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3300 mg/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: 14,681,1976

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 用途一:用于日化和食用香精,亦可用于配制人造精油、重组精油或制成酯类香料
  • 用途二:GB 2760一1996规定为允许使用的食用香料。主要用以配制蘑菇和泥土味等型香精。
  • Sigma Aldrich:3391-86-4(sigmaaldrich)
  • FEMA:2805
  • 方法一:由戊基溴化镁和丙烯醛反应而得。
  • 图谱信息:1-辛烯-3-醇(3391-86-4)红外图谱(IR2) 1-辛烯-3-醇(3391-86-4)质谱(MS) 1-辛烯-3-醇(3391-86-4)红外图谱(IR1) 1-辛烯-3-醇(3391-86-4)核磁图( 1 HNMR) 1-辛烯-3-醇(3391-86-4)Raman光谱 1-辛烯-3-醇(3391-86-4)核磁图( 13 CNMR)
  • MSDS 信息:1-Octen-3-ol(3391-86-4).msds
  • 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) 1-辛烯-3-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
  • 不溶于水。溶于乙醇等有机溶剂。具强烈蘑菇样甜的药草、干草样壤香。
  • TCI Shanghai:1-辛烯-3-醇 1-Octen-3-ol,>;98.0%(GC)(3391-86-4)
  • 使用限量:FEMA(mg/kg):软饮料0.20;冷饮1.0;糖果2.0;焙烤食品6.0;调味品6.0;沙司6.0。 适度为限(FDA§172.515,2000)。
  • Acros Organics:1-辛烯-3-醇 1-Octen-3-ol, 98%(3391-86-4)
  • 含量分析:按GT-10-4中用极性柱进行气相色谱法测定。
  • MOL 文件:3391-86-4.mol
  • Alfa Aesar:1-辛烯-3-醇,98% 1-Octen-3-ol, 98%(3391-86-4)
  • 上游原料:丙烯醛 --> 溴戊烷
  • 1-辛烯-3-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 O0159 1-辛烯-3-醇 1-Octen-3-ol 25ML 428元 2010/06/21 129471000 1-辛烯-3-醇 1-Octen-3-ol 98% 100 GR 1616元 2010/06/21 129470050 1-辛烯-3-醇 1-Octen-3-ol 98% 5 GR 174元
  • 用途三:用于日化和食用香精,亦可用于配制人造精油、重组精油或制成酯类香料。
  • 海关编码:29052990
  • 参考质量标准:FCC,1996 含量 ≥97.0% 折射率(n] D 20 ) 1.434~1.442 相对密度(d 25 25 ) 0.831~0.839
  • 毒性:GRAS(FEMA)。

系列性分类


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