Butyl Benzoate 苯甲酸丁酯

CAS 136-60-7 MFCD00009439

化学结构图

136-60-7
SMILES: CCCCOC(=O)C1C=CC=CC=1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23
Density1.01
Refractive index1.4960 to 1.4980
Flash Point106.11°C
TSCAYes
Boiling Point250.4 °C at 760 mmHg
Melting Point-22 °C
Solubility不溶于水，可混溶于醇、醚等。

别名和识别编码

Chemical NameButyl Benzoate
Synonym Butyl benzoate {LY} Butyl benzoate {} {LY} Butyl benzoate {} {} {LY} Butyl benzoate {} {} {} {LY} Butyl benzoate {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00009439
CAS Number136-60-7
EC Number205-252-7
Merck Number1552
Beilstein Registry Number9(3)392
PubChem Substance ID87563268
Reaxys-RN1867073
Chemical Name Translation苯甲酸丁酯
Wiswesser Line Notation4OVR
Canonical SMILESO=C(OCCCC)C1=CC=CC=C1
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分类

  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 纤维素酯类的溶剂。增塑剂。香料。

相关文献及参考

  • Short: II/27B
  • Merck: 14,1552
  • Merck: 14,1552 Beilstein:9(3)392
  • Short: II/3

安全信息

RTECSDG4925000
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
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P302+P352+P332+P313+P362+P364
Signal word Warning
Hazard Codes Xn Xn,Xi Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 735 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 2,7,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 2,7,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3450 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - other changes
   Blood - hemorrhage
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0539230

其他信息

  • TCI Shanghai:苯甲酸丁酯 Butyl Benzoate,>;99.0%(GC)(136-60-7)
  • Alfa Aesar:正丁基苯甲酸酯,98% n-Butyl benzoate, 98%(136-60-7)
  • 毒性分级:中毒
  • 刺激数据:皮肤-兔 10 毫克/24小时 重度; 眼睛-兔 500 毫克 中度
  • 方法一:由苯甲酸与丁醇酯化而得。将苯甲酸、丁醇、硫酸和四氯化碳一起加热回流8h，脱去定量的水后，减压除去过量的丁醇，然后洗涤至中性，经干燥后减压蒸馏即得成品。
  • 用途二:是一种较好的和合、修饰、稀释和定香剂。适用于龙涎香-琥珀香、橙花、甜豆花、草兰、素心兰、玫瑰麝香、香薇、野玫瑰型香精中。与依兰共用于重型花香，如香石竹中甚为合宜。
  • MSDS 信息:苯甲酸丁酯(136-60-7).msds
  • 储运特性:库房通风低温干燥; 与氧化剂类分开存放
  • 海关编码:29163100
  • 外观性质:无色粘稠液体, 有特臭。
  • 用途四:纤维素酯类的溶剂。增塑剂。香料。
  • 类别:易燃液体
  • 灭火剂:水雾,干粉、二氧化碳
  • Sigma Aldrich:136-60-7(sigmaaldrich)
  • 上游原料:四氯化碳
  • 可燃性危险特性:遇热, 明火易燃; 热分解排出有毒辛辣刺激烟雾
  • 下游产品:2-[[3-[[(2,3-二氢-2-氧代-1H-苯并咪唑-5-基)氨基]甲酰]-2-羟基-1-萘]偶氮]苯甲酸丁酯
  • 能与乙醇、乙醚混溶，几乎不溶于水。半数致死量(大鼠，经口)5.14g/kg。有刺激性。
  • 用途一:是有机合成中间体
  • 苯甲酸丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30030028 苯甲酸正丁酯 500ml 174元 2011/04/16 B0066 苯甲酸丁酯 Butyl Benzoate 500ML 284元 2011/04/16 B0066 苯甲酸丁酯 Butyl Benzoate 25ML 102元
  • 急性毒性:口服-大鼠 LD50: 735 毫克/公斤; 口服-小鼠 LD50: 3450 毫克/公斤
  • 用途三:纤维素酯类的溶剂，增塑剂和香料的原料。该品能刺激皮肤、粘膜、低毒、大鼠经口LD50为5100mg/kg。
  • Acros Organics:苯甲酸丁酯 Butyl benzoate, 98+%(136-60-7)
  • MOL 文件:136-60-7.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  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. C10 to C11 - 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. C10 to C11 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. A-B - Alpha Sort
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BI - BZ - B
  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

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