Butyl acetate 乙酸正丁酯

CAS 123-86-4 MFCD00009445

化学结构图

123-86-4
SMILES: CCCCOC(C)=O

化学属性

Mol. FormulaC6H12O2
Mol. Weight116.16
Density0.88
Refractive index1.3920 to 1.3970
Boiling Point124-126
Melting Point-78
Flash Point28°C(lit.)
TSCAYes
Autoignition Point790 °F
Vapor Density4 (vs air)
Vapor Pressure15 mmHg ( 25 °C)
Solubility0.7 G/100 ML (20 ºC)
Danger-Level甲类

别名和识别编码

Chemical NameButyl acetate
CAS Number123-86-4
EC Number204-658-1
Beilstein Registry Number1741921
MDL NumberMFCD00009445
PubChem Substance ID31272
Synonym 1-Acetoxybutane Acetate de butyle Acetic acid n-butyl ester BUTANYL ACETATE BUTYL ACETATE Butile Butyl ester of acetic acid Essigsäure-n-butylester Ethanoic acid butyl ester N-BUTYL ACETATE Normal butyl acetate Octan n-butylu acetatedebutyle(french) butile(acetatidi) n-Butyl ethanoate n-butyl acetate 丁基醋酸盐 乙酸丁酯 醋酸丁酯,乙酸正丁酯,醋酸正丁酯,乙酸丁脂
Reaxys-RN1741921
Merck Number1535
Chemical Name Translation乙酸正丁酯
Wiswesser Line Notation4OV1
LabNetwork Molecule IDLN00164313
InChIInChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
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分类

  • {SNA} A-B, A-D, Alphabetical Listings, F&F Ingredients in Drum Quantities (25-200 kg), Flavors and Fragrances, Kosher Certified Products
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} Alcohol Acetates, Anhydrous Solvents, Fatty Acyls, Fatty Esters, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, Sure/Seal Bottles, 生化试剂, 脂类
  • {SNA} ReagentPlus,
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances,

产品应用

  • 常用有机溶剂, 检定铊、锡和钨, 测定钼和铼, 抗生素萃取剂。

相关文献及参考

  • Short: II/27B
  • Merck: 14,1535 Beilstein: 2,IV,143
  • Short: III/38A
  • Merck: 14,1535

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAF7350000
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P307+P311
  • P332+P313
  • 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+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S25 Avoid contact with eyes 避免眼睛接触;
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
  • R66 Repeated exposure may cause skin dryness or cracking 反复接触可能导致皮肤干燥或皴裂
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
UN Number 1123
Packing GroupIII
Hazard Codes 3
Hazard Class3
Storage condition Flammables area 密封阴凉干燥保存。
Warnings 危化品目录(2015)
TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 200 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 25,282,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 25(11),57,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 4300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(10),25,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1592 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1500 ppm/7H
SEX/DURATION            : female 7-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB83-258038

Restrict 危险品

其他信息

  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度; 眼睛- 兔子 500 毫克/ 24 小时 轻度
  • 含量分析:准确称取试样约1.5g,放入一个250ml圆锥烧瓶中。加lmol/L氢氧化钾液25.0ml和无水异丙醇25ml,搅拌至全部溶解。于室温下放置30min。加酚酞试液(TS-167)约lml,用0.5mol/L硫酸滴定至刚出现粉红色。同时进行空白试验。每Ml0.5mol/L硫酸相当于乙酸丁酯
  • 乙酸丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 10005118 乙酸正丁酯;醋酸丁酯;乙酸正丁酯;醋
  • 用途四:GB 2760一96规定为允许使用的食用香料。作为香料,大量用于配制香蕉、梨、菠萝、杏、桃及草莓、浆果等型香精。亦可用作天然胶和合成树脂等的溶剂。
  • 乙酸丁酯的提纯:分析上常用作溶剂、萃取剂。乙酸丁酯一般含有乙醇、乙酸和水。 乙酸丁酯的提纯方法 (1) 减压蒸馏法 乙酸丁酯用等体积碳酸钠溶液 (5%)洗涤,加入无水氯化钙干燥后蒸馏,当干燥要求严格时,可加入五氧化二磷干燥、过滤,在隔绝湿气的条件下蒸馏。也可用饱和碳酸氢钠溶液萃取洗涤两次,再用无水硫酸镁干燥后蒸馏。蒸馏装置如图1所示。 图1 乙酸丁酯减压蒸馏装置 1—水浴;2—1000 ml克莱森烧瓶; 3—毛细管; 4—温度计;0~ 100℃;5—球形冷凝管; 6—接受器; 7—加热圈; 8—接调压变压器; 9—接真空泵; a、b—两通活塞; c—三通活塞 将500ml洗涤干燥过的乙酸丁酯置于烧瓶中,联结蒸馏装置,打开活塞a、b、c,启动真空泵抽出系统内的空气,当系统内压力达到7998Pa时,接通恒温水浴电源,温度控制在60~70℃,蒸馏速度,1~2滴/s,待蒸出50~60ml后,关闭活塞a,使活塞 c接通大气,卸下接受瓶,弃去首段馏出液,装好并接通c,使接受瓶与泵接通,蒸馏继续进行,当蒸出300~350ml馏出液时停止蒸馏,此中段馏分即为提纯品。注意水浴温度应随真空度的大小而定,应以蒸馏速度为准。 (2) 乙酸丁酯的回收 将使用过乙酸丁酯废液,在分液漏斗中水洗几次,然后用硫代硫酸钠稀溶液洗涤几次使之褪色,再用水洗几次,再按(1)蒸馏提纯。
  • 参考质量标准:FCC,1996;及FAO/WHO,1997 含量,% ≥98.0 折射率(n D 20 ) 1.393~1.396 相对密度(d 25 25 ) 0.876~0.880 酸值(OT-4) ≤2.0 馏程,
  • 储运特性:库房通风低温干燥; 与氧化剂分开
  • 图谱信息:乙酸丁酯(123-86-4)核磁图( 13 CNMR) 乙酸丁酯(123-86-4)红外图谱(IR1) 乙酸丁酯(123-86-4)质谱(MS)
  • FEMA:2174
  • 使用限量:FEMA(mg/kg):软饮料11;冷饮16;糖果32;焙烤食品32;布丁类13;胶姆糖220。 适度为限(FDA§172.515,2000)。
  • 用途五:偶用于果香型香精中,主要取其扩散力好的性能,更适宜作头香香料使用,但用量宜少,以免单独突出而影响效果。可大量用于如杏子、香蕉、桃子、生梨、凤梨、悬钩子、草莓等食用香精中。
  • 毒性分级:低毒
  • 职业标准:TWA 700 毫克/ 立方米; STEL 875 毫克/立方米
  • 下游产品:二乙烯酮 --> 涂料 --> 聚氨酯树脂 --> 甲烷 --> 红霉素 --> 4-硝基苯-Β-D-吡喃葡萄糖苷 --> 4-硝基苯基-D-吡喃葡糖苷 --> 4-硝基苯-α-D-吡喃半乳糖苷 --> 甲苯二异氰酸酯(2,4-80%, 2,6-20%) --> 青霉素钾 --> 青霉素钠 --> 4-硝基苯-Α-D-葡吡喃糖苷 --> 安赛蜜 --> 复合聚苯乙烯高效防腐涂料 --> DLC-1皮革光亮剂 --> 2-甲氧基-4-甲基-6-羟基嘧啶 --> 5-甲基脲嘧啶 --> 织物斑点清除 --> 头孢噻吩钠 --> 乙酰乙酸正丁酯 --> 苯唑西林 --> 茴三硫 --> 柱晶白霉素 --> 光亮剂GS-1 --> 改性聚氨酯光亮剂
  • 灭火剂:干粉、二氧化碳、泡沫
  • {Chemi

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