p-CYMENE 对伞花烃

CAS 99-87-6 MFCD00008893

化学结构图

99-87-6
SMILES: Cc1ccc(C(C)C)cc1

化学属性

Mol. FormulaC10H14
Mol. Weight134.22
Refractive index1.4880 to 1.4920
Boiling Point176-178
Density0.86
Autoignition Point817 °F
Vapor Density4.62 (vs air)
Vapor Pressure1.5 mmHg ( 20 °C)
Flash Point47.22°C
TSCAYes
Melting Point-67.94°C
SolubilityPRACTICALLY INSOLUBLE

别名和识别编码

Chemical Namep-CYMENE
Synonym p-Cymene {LY} p-Cymene {} {LY} p-Cymene {} {} {LY} p-Cymene {} {} {} {LY} p-Cymene {} {} {} {} {LY} p-Cymene {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Cymene
CAS Number99-87-6
PubChem Substance ID7463
EC Number 202-796-7
Beilstein Registry Number1903377
MDL NumberMFCD00008893
Merck Number2763
Chemical Name Translation对伞花烃
Reaxys-RN1903377
Wiswesser Line Notation1Y1&R D1
LabNetwork Molecule IDLN00198138
InChIInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Canonical SMILESCC(C1=CC=C(C)C=C1)C
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分类

  • {SNA} A - D, A-F, All Alphabetically Sorted, Alpha Sort, Alphabetical, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, C, CO - CZ, Chemical Class, Chromatography, Citrus, Cumin, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Herbs & Spices, Hydrocarbons, Isoprenoid
  • {SNA} Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products, O-Z

产品应用

  • 用于有机合成及配制油漆稀释剂。用作染料、医药、香料的中间体。

相关文献及参考

  • Merck: 14,2763 Beilstein: 5,IV,1060
  • High-boiling solvent, e.g. in the Claisen allyl ether rearrangement: Org. Synth. Coll., 7, 177 (1990). For reaction scheme, see Allyl­ alcohol, A15026.
  • Short: IV/8E
  • Short: EINECS
  • Merck: 14,2763
  • Short: IV/16

安全信息

GHS Symbol
WGK Germany2
Hazard Codes 3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGZ5950000
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。
  • 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+P310
  • P301+P312+P330
  • P301+P316
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P308+P313
  • 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。
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P332+P313
  • P332+P317
  • 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
  • P362+P364
  • 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.....
Signal word Danger Warning
Packing GroupIII
UN Number 2046
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S37 Wear suitable gloves 戴适当手套;
Hazard Class3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4750 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

其他信息

  • MSDS 信息:(对)甲基异丙基苯(99-87-6).msds
  • TCI Shanghai:对伞花烃 p-Cymene,>;95.0%(GC)(99-87-6)
  • 毒性分级:中毒
  • 4-异丙基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0664 4-异丙基甲苯(1mg/ml的甲醇溶液)[用于水分析] 4-Isopropyltoluene (=p-Cymene) (1mg/ml in Methanol) [for Water Analysis] 1ML 190元 2014/06/02 C0513 对伞花烃 p-Cymene 25ML 130元 2014/06/02 C0513
  • 含量分析:按气相色谱法(GT-10-4)中用极性柱测定。
  • 使用限量:FEMA(mg/kg):饮料3.3;冰淇淋5.3;糖果10.0;焙烤食品7.0;胶姆糖250;调味料10~130。 适度为限(FDA,§172.515,2000)。
  • MOL 文件:99-87-6.mol
  • 有芳香气味;实际上不溶于水,溶于乙醇、乙醚、丙酮、氯仿、苯和CCL4
  • {Chemi
  • 爆炸物危险特性:与空气混合可爆
  • 类别:易燃液体
  • {Chemicalb
  • 急性毒性:口服- 大鼠 LD50: 4750 毫克/ 公斤
  • Sigma A
  • 用途四:用于有机合成及配制油漆稀释剂。用作染料、医药、香料的中间体。
  • 用途一:用于制药工业
  • 职业标准:TWA 25 PPM (140 毫克/ 立方米); STEL 10 毫克/ 立方米
  • FEMA:2356
  • 图谱信息:4-异丙基甲苯(99-87-6)红外图谱(IR1) 4-异丙基甲苯(99-87-6)核磁图( 13 CNMR) 4-异丙基甲苯(99-87-6)质谱(MS) 4-异丙基甲苯(99-87-6)Raman光谱 4-异丙基甲苯(99-87-6)红外图谱(IR2)
  • 蒸气压:1.5 mm Hg ( 20 °C)
  • 毒性:GRAS(FEMA;FDA,§172.515,2000)。
  • 参考质量标准:FCC,1996 含量 ≥97.0% 折射率 1.489~1.491 相对密度 0.853~0.855 醇中溶解度 lml溶于1mL 95%乙醇
  • 方法二:由樟脑与五氧化二磷经硝除反应而得。先将粉状樟脑和五氧化二磷在176℃共热12h
  • 方法
  • 储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
  • 挥发性有机化合物(VOCs)单组分标准液
  • Alfa Aesar:对异丙基苯,97% p-Cymene, 9
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • 急性毒性:口服- 大
  • 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) 对异丙基甲苯 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
  • 下游产品:丙酮 --> 间甲酚 --> 甲酚 --> 对甲基苯甲酸 --> N-4-异丙基苯基-N',N'-二甲基脲 --> 对溴甲基苯甲酸 --> 4-异丙基苯甲醛 --> GAMMA-萜品烯,松油烯 --> 2-硝基-4-异丙基甲苯
  • 上游原料:(+)-柠檬烯 --> 桉叶油醇
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃;燃烧排放刺激烟雾
  • 用途三:用于制取对甲苯酚、丙酮,用作染料、医药、香料的中间体。异丙基对甲苯存在于多种精油中,本身是一种祛痰、止咳、平咳药物。

系列性分类


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