Trans-2-Hexenyl Acetate (E)-乙酸-2-己烯酯

CAS 2497-18-9 MFCD00009474

化学结构图

2497-18-9
SMILES: CCC/C=C/COC(C)=O

化学属性

Mol. FormulaC8H14O2
Mol. Weight142.20
Density0.898
Refractive index1.4250 to 1.4290
Boiling Point165-166 °C at 760 mmHg
Flash Point64°C(lit.)
TSCAYes
Appearance 无色至淡黄色液体。呈青草香韵。沸点166℃。溶于乙醇。
Melting Point-65.52 °C

别名和识别编码

Chemical NameTrans-2-Hexenyl Acetate
Synonym (E)-Hex-2-en-1-yl acetate {LY} (E)-Hex-2-en-1-yl acetate {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-yl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-Hex-2-en-1-y
CAS Number2497-18-9
EC Number219-680-7
Beilstein Registry Number1721851
MDL NumberMFCD00009474
PubChem Substance ID2733294
Reaxys-RN1721851
Chemical Name Translation(E)-乙酸-2-己烯酯
Wiswesser Line Notation4U2OV1
LabNetwork Molecule IDLN01739972
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
Canonical SMILESCC(OC/C=C/CCC)=O
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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} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products, O-Z
  • {SA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products, O-Z
  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, Flavors and Fragrances,

相关文献及参考

  • Short: EINECS
  • Beilstein: 2,II,151
  • Short: III/35C1

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
  • 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；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
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
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • 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。
  • 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。
  • 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。
  • 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+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+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
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • 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
RTECSMP8425000
Packing GroupIII
UN Number 3272
Hazard Codes 3
Hazard Class3 
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: 17,793,1979

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: 17,793,1979

Storage condition

其他信息

  • 微溶于水，溶于油。
  • 图谱信息:乙酸反-2-己烯酯(2497-18-9)红外图谱(IR2) 乙酸反-2-己烯酯(2497-18-9)Raman光谱 乙酸反-2-己烯酯(2497-18-9)红外图谱(IR1) 乙酸反-2-己烯酯(2497-18-9)核磁图( 1 HNMR) 乙酸反-2-己烯酯(2497-18-9)质谱(MS) 乙酸反-2-己烯酯(2497-18-9)核磁图( 13 CNMR)
  • 用途一:GB 2760--1996允许使用的食用香料。
  • Sigma Aldrich:2497-18-9(sigmaaldrich)
  • MOL 文件:2497-18-9.mol
  • 上游原料:乙烯醇
  • 使用限量:FEMA(mg/kg)：饮料0.28；冰淇淋0.40；糖果、焙烤食品1.7。 适度为限(FDA，§172．515，2000)。
  • 方法一:由反式-2-乙烯醇与乙酸酯化而成。
  • Acros Organics:乙酸反-2-己烯酯 trans-2-Hexenyl acetate, 98%(2497-18-9)
  • 毒性:GRAS(FDA，§172．515；FEMA)。‘
  • FEMA:2564
  • 参考质量标准:FCC，1996 含量(顺、反式总量) ≥98.0% 其中反式 ≥90% 折射率 1.425～1.430 相对密度 0.890~0.897 醇中溶解度 lml溶于1mL 95%乙醇
  • TCI Shanghai:(E)-乙酸-2-己烯酯 trans-2-Hexenyl Acetate,>;95.0%(GC)(2497-18-9)
  • Alfa Aesar:反式-2-己烯-醋酸盐,98% trans-2-Hexenyl acetate, 98%(2497-18-9)
  • 乙酸反-2-己烯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0877 乙酸反-2-己烯酯 trans-2-Hexenyl Acetate 25ML 286元 2014/06/02 A0877 乙酸反-2-己烯酯 trans-2-Hexenyl Acetate 250ML 1590元 2010/06/21 310530500 乙酸反-2-己烯酯 trans-2-Hexenyl acetate 98% 50 GR 414元
  • 含量分析:按气相色谱法(GT-10-4)用极性柱进行测定。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  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. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters

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