cis-3-Hexen-1-ol, 99%, reference material 顺-3-己烯醇

CAS 928-96-1 MFCD00063217

化学结构图

928-96-1
SMILES: CC/C=C\CCO

化学属性

Mol. FormulaC6H12O
Mol. Weight100.16
Density0.848
Refractive index1.4390 to 1.4430
Vapor Density3.45 (vs air)
Boiling Point156.5°C at 760 mmHg
Flash Point44.44°C
TSCAYes
Solubility不溶
Stability对光敏感
Appearance 无色油状液体。具有强烈的青草香气和新茶叶气息。沸点156℃，闪点44℃。溶于乙醇、丙二醇和大多数非挥发性油，极微溶于水。 天然品存在于茶叶：薄荷、大茉莉花、葡萄、树莓、柚子等中。
Melting Point22.55 °C

别名和识别编码

Chemical Namecis-3-Hexen-1-ol, 99%, reference material
Synonym cis-3-Hexen-1-ol {LY} cis-3-Hexen-1-ol cis-3-hexen-1-ol cis-3-hexenol {} {LY} cis-3-Hexen-1-ol {} {} {LY} cis-3-Hexen-1-ol {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-Hexen-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} cis-3-H
CAS Number928-96-1
EC Number213-192-8
Beilstein Registry Number1719712
MDL NumberMFCD00063217
PubChem Substance ID5281167
Merck Number14,4700
Reaxys-RN1719712
Chemical Name Translation顺-3-己烯醇
Wiswesser Line NotationQ3U3 -C
LabNetwork Molecule IDLN01298525
Canonical SMILESCC/C=C\CCO
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
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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} A-D, Alphabetical Listings, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products
  • {SNA} A-L, Analytical Standards, Animal Products, Apple, Bergamot, Celery, Chamomile, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Fruits, G-L, Ham, Herbs & Spices, Vegetables, 分析/色谱, 按字母排序, 食品饮料类产品, 香精香料
  • {SNA} Acyclic,

产品应用

  • 正-3-己烯醇又名叶醇,它不仅常用于具有花香青香的日化香精中,也用于具有果香和薄荷香的食用香精中可用于激活花香,果香和薄荷香日化和食用香精中的头像。

相关文献及参考

  • Short: EINECS
  • Beilstein:1(1)229
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
Precautionary statements
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P303+P361+P353
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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+P317
  • 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。
  • P370+P378
  • P403+P235
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMP8400000
Packing GroupIII
UN Number 1987
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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°
Hazard Class3
Hazard Codes 3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 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: 7,451,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 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: 7,451,1969

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: 12,909,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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: 7,451,1969

其他信息

  • 用途一:GB 2760—96规定为允许使用的食用香料。主要用以配制各种瓜果和薄荷型香精。
  • 含量分析:各异构体总量及主成分含量均按GT-10-4中用极性柱进行气相色谱分析。
  • F:10
  • 用途三:正-3-己烯醇又名叶醇,它不仅常用于具有花香青香的日化香精中,也用于具有果香和薄荷香的食用香精中可用于激活花香,果香和薄荷香日化和食用香精中的头像。
  • 蒸气密度:3.45 (vs air)
  • FEMA:2563
  • MSDS 信息:Leaf alcohol(928-96-1).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） 叶醇 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:顺-3-己烯-1-醇 cis-3-Hexen-1-ol, 98%(928-96-1)
  • 叶醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0124 顺-3-己烯-1-醇 cis-3-Hexen-1-ol 500ML 4570元 2014/06/02 H0124 顺-3-己烯-1-醇 cis-3-Hexen-1-ol 25ML 516元 2010/06/21 120770100 叶醇 cis-3-Hexen-1-ol 98% 10 ML 383元
  • 海关编码:29052990
  • 毒性:GRAS(FEMA)。 LD50 4700 mg/kg(大鼠，经口)。
  • Sigma Aldrich:928-96-1(sigmaaldrich)
  • 上游原料:钠 --> 氨 --> 三苯基膦 --> 锂 --> 乙炔钠 --> 3-庚炔 --> 1-己炔-3-醇 --> 1-丁炔
  • Alfa Aesar:顺-3-己烯-1-醇,98% cis-3-Hexen-1-ol, 98%(928-96-1)
  • 用途二:顺式3-己烯醇具有类似异戊醇的香味，用于制高级香料；反式3-已烯醇在非常稀和状态有浓草香味，用于特种香料的生产。
  • 使用限量:FEMA(mg/kg)：软饮料1.0；冷饮3.7；糖果5.0；焙烤食品5.0。 适度为限(FDA§172．515，2000)。
  • 方法二:在液氨中使金属锂（或金属钠）与乙炔反应生成乙炔（或乙炔钠），再与乙醇反应生成乙基乙炔。乙基乙炔与环氧乙烷反应得到3-乙炔-1-醇，最后加氢制得产品叶醇。
  • 参考质量标准:FCC，1996；FAO/WHO，1998 含量(顺、反异构体总量) ≥98.0% 其中顺式 ≥92.0% 折射率(n D 20 ) 1.439～1.441 相对密度(d 25 25 ) 0.846～0.850
  • MOL 文件:928-96-1.mol
  • 图谱信息:叶醇(928-96-1)Raman光谱 叶醇(928-96-1)核磁图( 1 HNMR) 叶醇(928-96-1)质谱(MS) 叶醇(928-96-1)核磁图( 13 CNMR) 叶醇(928-96-1)红外图谱(IR2) 叶醇(928-96-1)红外图谱(IR1)
  • 下游产品:顺-3-己烯基丁酯 --> Z-3-甲基丁酸-3-己烯酯 --> 反-2,顺6-壬二烯醇 --> 顺式-3-己烯醇甲酸酯 --> 顺式-3-己烯醛 --> 顺式-3-己烯醇 2-甲基丁酸酯 --> 3-己烯酸乙酯 --> 丙酸顺式-3和反式-2-己烯酯(混合物)
  • 方法一:由四氢呋喃为起始原料，或用3-己炔醇经选择性氢化而成。也可由3一氯丙醇、三苯基膦和丙醛进行Wittig反应而成。
  • 有强力清新浓烈的青香和草香。不溶于水，溶于乙醇和丙二醇，和油混溶。
  • TCI Shanghai:(Z)-3-己烯-1-醇 cis-3-Hexen-1-ol,>;97.0%(GC

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. G-H - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ocimum basilicum (Basil) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Conjugation Chemistry: Azides, Alkynes 共轭化学 (叠氮化物，炔烃等)
  4. Functionalized Alkynes 功能性炔烃
  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. Alkenes 烯烃
  5. Acyclic - Alkenes
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. G-L - Flavors and Fragrances
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. Food Products & Beverages - Flavors and Fragrances
  8. Fruits - Food Products & Beverages
  9. Apple - Fruits

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