(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone L-香芹酮

CAS 6485-40-1 MFCD00001578

化学结构图

6485-40-1
SMILES: C=C(C)[C@@H]1CC=C(C)C(=O)C1

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Refractive index1.4980 to 1.5000
Boiling Point227-230°C at 760 mmHg
Density0.959
Flash Point94°C
TSCAYes
Vapor Density5.2 (vs air)
Vapor Pressure0.4 mmHg ( 20 °C)
Solubility难溶
Appearance 无色至淡稻草黄色油液,有留兰香香气。沸点231℃,闪点93.5℃。溶于丙二醇、植物油和矿物油,混溶于乙醇,不溶于甘油和水。 天然品为留兰香油(含量可高达70%)的主要成分。
Stability对空气和光线敏感
Melting Point25 °C

别名和识别编码

Chemical Name(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
Synonym (-)-Carvone {LY} (-)-Carvone {} {LY} (-)-Carvone {} {} {LY} (-)-Carvone {} {} {} {LY} (-)-Carvone {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number6485-40-1
PubChem Substance ID439570
EC Number229-352-5
Beilstein Registry Number2206714
MDL NumberMFCD00001578
Reaxys-RN2206714
Merck Number1874
Chemical Name TranslationL-香芹酮
Wiswesser Line NotationL6V BUTJ B1 EY1&U1
LabNetwork Molecule IDLN00237927
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Canonical SMILESO=C1C(C)=CC[C@@H](C(C)=C)C1
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分类

  • {SNA} A - D, A-F, A-L, Additional Standards, Alphabetical, Analytical Standards, Asymmetric Synthesis, Chemical Class, Chemical Synthesis, Chiral Building Blocks, Chromatography, Dill, Flavor and Fragrance Standards,

相关文献及参考

  • Short: IV/13A1
  • Beilstein:7,157
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • 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
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSOS8650000
Hazard Codes Xn
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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1640 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: 11,1057,1973

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#02834

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 766 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: 11,1057,1973

其他信息

  • 用途二:香料。主要用于配制留兰香型香精。
  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • 左旋香芹酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 25ML 208元 2011/04/16 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 500ML 1210元 2010/06/21 154595000 左旋香芹酮 L(-)-Carvone
  • 可燃性危险特性:热分解辛辣刺激烟雾
  • MOL 文件:6485-40-1.mol
  • 蒸气密度:5.2 (vs air)
  • FEMA:2249
  • Alfa Aesar:(R)-(-)-香芹酮,98% (R)-(-)-Carvone, 98%(6485-40-1)
  • MSDS 信息:L(-)-Carvone(6485-40-1).msds
  • 左旋香芹酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 25ML 176元 2014/06/02 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 500ML 1070元 2010/06/21 154595000 左旋香芹酮 L(-)-Carvone 99+% 500 GR 1756元
  • Sigma Aldrich:6485-40-1(sigmaaldrich)
  • 参考质量标准:FCC,1996 含量 ≥95.0% 旋光度(用100mm管子;25℃) -57°~-62° 醇中溶解度(OT-43) lml溶于2mL 70%乙醇 折射率(n D 20 ) 1.495~1.499 相对密度(d 25 25 ) 0.956~0.960
  • 含量分析:按GT-10-4中用非极性柱方法测定。
  • Acros Organics:L-(-)-香芹酮 L(-)-Carvone, 99+%(6485-40-1)
  • 上游原料:氢硫酸 --> 磺酸 --> (+)-柠檬烯 --> 留兰香油
  • 类别:有毒物质
  • 海关编码:29142900
  • 图谱信息:左旋香芹酮(6485-40-1)核磁图( 1 HNMR) 左旋香芹酮(6485-40-1)红外图谱(IR1) 左旋香芹酮(6485-40-1)质谱(MS) 左旋香芹酮(6485-40-1)核磁图( 13 CNMR) 左旋香芹酮(6485-40-1)Raman光谱
  • 使用限量:GB 2760--1996规定为允许使用的食用香料。 FEMA(mg/kg):软饮料850;冷饮120;糖果180;焙烤食品110;酒类130。 适度为限(FDA,§172.515,2000)。
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • F:8-10-23
  • 急性毒性:口服-大鼠 LD50: 1640 毫克/公斤; 静脉-小鼠 LD50: 56 毫克/公斤
  • 用途一:用于食品如口香糖等的香味添加剂,是橡皮糖调和香料的主要原料,也用于医药以及牙膏等的调和香料
  • 比旋光度:-57 ° (neat)
  • 蒸气压:0.4 mm Hg ( 20 °C)
  • 方法一:用中性亚硫酸盐法或硫化氢衍生物法从留兰香油中单离而得。 由d-芋烯合成而得。
  • TCI Shanghai:(R)-(-)-香芹酮 (R)-(-)-Carvone,>;99.0%(GC)(6485-40-1)
  • 实际上不溶于水,溶于醇、醚、氯仿、丙二醇和矿物油;不溶于甘油。
  • 毒性:ADI未作规定(FAO/WHO,1994)。 GRAS(FDA,§182.60,2000)。 LD50 1640 mg/kg(大鼠,经口)。

系列性分类


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