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Chemistry","计算化学","1.疏水参数计算参考值（XlogP）:无\n2.氢键供体数量:1\n3.氢键受体数量:2\n4.可旋转化学键数量:2\n5.互变异构体数量:无\n6.拓扑分子极性表面积37.3\n7.重原子数量:6\n8.表面电荷:0\n9.复杂度:49.5\n10.同位素原子数量:0\n11.确定原子立构中心数量:0\n12.不确定原子立构中心数量:0\n13.确定化学键立构中心数量:0\n14.不确定化学键立构中心数量:0\n15.共价键单元数量:1",{"label":243,"labelZh":243,"value":244},"更多","1.性状：油状液体，有腐臭的酸味。\n2.熔点（℃）：-7.9\n3.沸点（℃）：163.5\n4.相对密度（水=1）：0.96\n5.相对蒸气密度（空气=1）：3.04\n6.饱和蒸气压（kPa）：0.10（25℃）\n7.燃烧热（kJ\u002Fmol）：-2181.4\n8.临界温度（℃）：355\n9.临界压力（MPa）：5.27\n10.辛醇\u002F水分配系数：0.79\n11.闪点（℃）：72（CC）\n12.引燃温度（℃）：452\n13.爆炸上限（%）：10.0\n14.爆炸下限（%）：2.0\n15.溶解性：与水混溶，可混溶于乙醇、乙醚。\n16.折射率（20ºC）：1.3980\n17.折射率（25ºC）：1.3958\n18.黏度（mPa·s,15ºC）：1.814\n19.黏度（mPa·s,30ºC）：1.385×10\n-3\n20.燃点（ºC）：452.2\n21.蒸发热（KJ\u002Fmol,25ºC）：60.58\n22.蒸发热（KJ\u002Fmol,b.p.）：42.03\n23.熔化热（KJ\u002Fmol）：10.47\n24.生成热（KJ\u002Fmol,25ºC,液体）：-535.49\n25.比热容（KJ\u002F(kg·K),20ºC,定压）：1.98\n26.热导率（W\u002F(m·K)）：0.1477\n27.临界密度（g·cm\n-3\n）：0.302\n28.临界体积（cm\n3\n·mol\n-1\n）：292\n29.临界压缩因子：0.232\n30.偏心因子：0.604\n31.溶度参数(J·cm\n-3\n)\n0.5\n：20.263\n32.van der Waals面积（cm\n2\n·mol\n-1\n）：7.880×10\n9\n33.van der Waals体积（cm\n3\n·mol\n-1\n）：53.870\n34.气相标准燃烧热(焓)(kJ·mol\n-1\n)：-2241.8\n35.气相标准声称热(焓)( kJ·mol\n-1\n) ：-475.7\n36.液相标准燃烧热(焓)(kJ·mol\n-1\n)：-2183.50\n37.液相标准声称热(焓)( kJ·mol\n-1\n)：-533.84\n38.液相标准热熔(J·mol\n-1\n·K\n-1\n)：182.1",{"pictogram":246,"signal":247,"hazards":248},"Corrosion \u002F Irritant","Danger",[249,250],"H302 — Harmful if swallowed \u002F 吞咽有害","H314 — Causes severe skin burns and eye damage \u002F 造成严重皮肤灼伤和眼损伤",[],"\u003Ctd>\n\u003Cdiv class=\"\" id=\"MSDSTbl\">\n\u003Ctable class=\"_table_all\">\n\u003Ctbody>\n\u003Ctr class=\"_tr_1\">\n\u003Ctd class=\"_td_header_1\">\u003Cstrong> 国标编号: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_1\"> 81620 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_2\">\n\u003Ctd class=\"_td_header_2\">\u003Cstrong> ＣＡＳ: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_2\"> 107-92-6 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_3\">\n\u003Ctd class=\"_td_header_3\">\u003Cstrong> 中文名称: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_3\"> 丁酸 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_4\">\n\u003Ctd class=\"_td_header_4\">\u003Cstrong> 英文名称: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_4\"> Butyric acid \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_5\">\n\u003Ctd class=\"_td_header_5\">\u003Cstrong> 别 名: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_5\"> 酪酸 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_6\">\n\u003Ctd class=\"_td_header_6\">\u003Cstrong> 分子式: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_6\"> C\u003Csub>4\u003C\u002Fsub>H\u003Csub>8\u003C\u002Fsub>O\u003Csub>2\u003C\u002Fsub>；CH\u003Csub>3\u003C\u002Fsub>CH\u003Csub>2\u003C\u002Fsub>CH\u003Csub>2\u003C\u002Fsub>COOH \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_7\">\n\u003Ctd class=\"_td_header_7\">\u003Cstrong> 分子量: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_7\"> 88.11 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_8\">\n\u003Ctd class=\"_td_header_8\">\u003Cstrong> 熔 点: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_8\"> -7.9℃ 沸点：163.5℃ \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_9\">\n\u003Ctd class=\"_td_header_9\">\u003Cstrong> 密 度: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_9\"> 相对密度(水=1)0.96； \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_10\">\n\u003Ctd class=\"_td_header_10\">\u003Cstrong> 蒸汽压: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_10\"> 71.7℃ \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_11\">\n\u003Ctd class=\"_td_header_11\">\u003Cstrong> 溶解性: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_11\"> 与水混溶，可混溶于乙醇、乙醚 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_12\">\n\u003Ctd class=\"_td_header_12\">\u003Cstrong> 稳定性: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_12\"> 稳定 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_13\">\n\u003Ctd class=\"_td_header_13\">\u003Cstrong> 外观与性状: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_13\"> 无色液体,有腐臭的酸味 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_14\">\n\u003Ctd class=\"_td_header_14\">\u003Cstrong> 危险标记: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_14\"> 20(腐蚀品) \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_15\">\n\u003Ctd class=\"_td_header_15\">\u003Cstrong> 用 途: \u003C\u002Fstrong>\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_15\"> 用作萃取剂、脱钙剂、酯类合成，也用以制取香料、杀菌剂和乳化剂等 \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003C\u002Ftbody>\n\u003C\u002Ftable>\n\u003Cbr\u002F>\n\u003Cb class=\"msds_title\"> 2.对环境的影响: \u003C\u002Fb>\n\u003Cbr\u002F> 一、健康危害 \n\u003Cbr\u002F> 侵入途径：吸入、食入、经皮吸收。\n\u003Cbr\u002F>健康危害：高浓度一次接触，可引起皮肤、眼或粘膜和中度刺激性损害。 \n\u003Cbr\u002F> 二、毒理学资料及环境行为 \n\u003Cbr\u002F>\u003Cdiv id=\"msdsControl\">毒性：属低毒类。\n\u003Cbr\u002F>急性毒性：LD\n\u003Csub>50\u003C\u002Fsub>2000mg\u002Fkg(大鼠经口)；530mg\u002Fkg(兔经皮)\n\u003Cbr\u002F>危险特性：遇明火、高热或与氧化剂接触，有引起燃烧爆炸的危险。\n\u003Cbr\u002F>燃烧(分解)产物：一氧化碳、二氧化碳。 \n\u003Cbr\u002F>\n\u003Chr class=\"msds_hr\"\u002F>\n\u003Cb class=\"_b_title_2\"> 3.现场应急监测方法: \u003C\u002Fb>\n\u003Cbr\u002F>土壤中挥发性脂肪酸的快速萃取和分析[刊，英]\u002FPaul J.W.；Beauchamp E.G.\u002F\u002FCommun.Soil Sci.Plant Anal.-1989,20(1\u002F2).-85～94 《分析化学文摘 》1990.6. \n\u003Chr class=\"_hr_split_2\">\n\u003Cb class=\"_b_title_3\">4.实验室监测方法: \u003C\u002Fb>\n\u003Cbr\u002F> 气相色谱法《空气中有害物质的测定方法》，杭士平主编 \n\u003Chr class=\"_hr_split_3\"\u002F>\n\u003Cb class=\"_b_title_4\">5.环境标准: \u003C\u002Fb>\n\u003Ctable>\n\u003Ctbody>\n\u003Ctr class=\"_tr_16\">\n\u003Ctd class=\"_td_header_16\">前苏联\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_16\">车间空气中有害物质的最高容许浓度\u003C\u002Ftd>\n\u003Ctd>10mg\u002Fm\u003Csup>3\u003C\u002Fsup> \u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_17\">\n\u003Ctd class=\"_td_header_17\">前苏联(1975)\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_17\">居民区大气中有害物最大允许浓度\u003C\u002Ftd>\n\u003Ctd>0.015mg\u002Fm\u003Csup>3\u003C\u002Fsup>(最大值，昼夜均值)\u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003Ctr class=\"_tr_18\">\n\u003Ctd class=\"_td_header_18\">前苏联\u003C\u002Ftd>\n\u003Ctd class=\"_td_header_content_18\">污水中有害物质最高允许浓度\u003C\u002Ftd>\n\u003Ctd>10mg\u002FL\u003C\u002Ftd>\n\u003C\u002Ftr>\n\u003C\u002Ftbody>\n\u003C\u002Ftable>\n\u003Chr class=\"_hr_split_4\"\u002F>\n\u003Cb class=\"_b_title_5\">6.应急处理处置方法: \u003C\u002Fb>\n\u003Cbr\u002F> 一、泄漏应急处理 \n\u003Cbr\u002F> 疏散泄漏污染区人员至安全区，禁止无关人员进入污染区，建议应急处理人员戴自给式呼吸器，穿化学防护服。不要直接接触泄漏物，在确保安全情况下堵漏。用沙土或其它不燃性吸附剂混合吸收，收集运至废物处理场所处置。也可以用大量水冲洗，经稀释的洗水放入废水系统。如大量泄漏，利用围堤收容，然后收集、转移、回收或无害处理后废弃。 \n\u003Cbr\u002F> 二、防护措施 \n\u003Cbr\u002F> 呼吸系统防护：空气中浓度超标时，应该佩戴防毒面具。必要时佩带自给式呼吸器。\n\u003Cbr>眼睛防护：戴化学安全防护眼镜。\n\u003Cbr>防护服：穿工作服(防腐材料制作)。\n\u003Cbr>手防护：戴橡皮手套。\n\u003Cbr>其它：工作后，淋浴更衣。注意个人清洁卫生。 \n\u003Cbr> 三、急救措施 \n\u003Cbr> 皮肤接触：脱去污染的衣着，立即用流动清水彻底冲洗。\n\u003Cbr>眼睛接触：立即提起眼睑，用流动清水或生理盐水冲洗至少15分钟。就医。\n\u003Cbr>吸入：迅速脱离现场至空气新鲜处。保持呼吸道通畅。必要时进行人工呼吸。就医。\n\u003Cbr>食入：误服者给饮大量温水，催吐，就医。\n\u003Cbr>\n\u003Cbr>灭火方法：雾状水、泡沫、二氧化碳、砂土。\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fbr>\u003C\u002Fhr>\u003C\u002Fdiv>\n\u003C\u002Fdiv>\n\u003C\u002Ftd>",[254,260,266,272,278,284],{"slug":255,"cid":256,"name":257,"nameZh":258,"cas":259},"785896671492968448","J-1516621-2","lithium methacrylate","甲基丙烯酸锂","13234-23-6",{"slug":261,"cid":262,"name":263,"nameZh":264,"cas":265},"785871994221498368","J-1990576-7","Lithium thiocyanate hydrate","硫氰酸锂水合物","123333-85-7",{"slug":267,"cid":268,"name":269,"nameZh":270,"cas":271},"847532620731387904","J-1134040-3","Cyclopropanamine hydrochloride","环丙胺盐酸盐","18600-39-0",{"slug":273,"cid":274,"name":275,"nameZh":276,"cas":277},"785888372726960128","J-1330282-9","Lithium isobutyrate","异丁酸锂","25179-23-1",{"slug":279,"cid":280,"name":281,"nameZh":282,"cas":283},"785880391826280448","J-15204-2","Formaldoxime hydrochloride","甲醛肟盐酸盐","3473-11-8",{"slug":285,"cid":286,"name":287,"nameZh":288,"cas":289},"847534375405883392","J-1014845-3","acetamide,hydrochloride","乙酰胺盐酸盐","13507-15-8",1790094584591,"zh-CN",[]]