Amyl acetate 乙酸戊酯

CAS 628-63-7 MFCD00009500

化学结构图

628-63-7
SMILES: CCCCCOC(C)=O

化学属性

Mol. FormulaC7H14O2
Mol. Weight130
Refractive index1.4000 to 1.4050
Boiling Point142-149
Density0.876
Melting Point-100
Flash Point45°C(lit.)
TSCAYes
Vapor Density4.5 (vs air)
Autoignition Point680 °F
Vapor Pressure4 mmHg ( 20 °C)
SolubilitySoluble in water (10 g/L at 20 °C).
Stability易吸潮

别名和识别编码

Chemical NameAmyl acetate
Synonym 1-PENTYL ACETATE 1-Pentanol acetate 1-Pentanol, acetate 1-Pentyl acetate 1-pentanol,acetate 1-pentyl acetate Acetate d'amyle Acetic acid, amyl ester Amyl acetate Amyl acetate (mixed isomers) Amylacetat Birnenoel C7H14O2 (acetic acid pentyl ester) Essigsäure Pentylester Essigsäurepentylester N-AMYL ACETATE Octan amylu Pentyl acetate Pentyl ethanoate Pentylacetate acetated’amyle(french) acetic acid pentyl ester n-Amyl acetate n-Amylacetat n-Pentyl acetate n-Pentyl ethanoate 乙酸苯 醋酸戊酯 醋酸正戊酯 N-AMYL ACETATE
CAS Number628-63-7
PubChem Substance ID87561724
EC Number211-047-3
Beilstein Registry Number1744753
MDL NumberMFCD00009500
Reaxys-RN1744753
Chemical Name Translation乙酸戊酯
InChIKeyPGMYKACGEOXYJE-UHFFFAOYSA-N
Wiswesser Line Notation5OV1
LabNetwork Molecule IDLN00193501
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分类

  • {SNA} Alcohol Acetates,
  • Alcohol Acetates, Biochemicals and Reagents, Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Fatty Acyls, Fatty Esters, Lipids, Organic Building Blocks
  • {SNA} Alcohol Acetates, Building Blocks, C6 to C7,
  • {SNA} Alphabetical Index of Analytical Standards, Alcohol Acetates, Analytical Standards, Analytical/Chromatography, Biochemicals and Reagents, Fatty Acyls, Fatty Esters, Lipids, P, PA - PEN
  • {SNA} Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products,
  • {SNA} A-B,
  • {SNA} A

产品应用

  • Usually used as a test odorant.

相关文献及参考

  • Short: II/27B
  • Jacob, T.J., et al., Psychophysical evaluation of responses to pleasant and mal-odour stimulation in human subjects; adaptation, dose response and gender differences. Int. J. Psychophysiol. 48 , 67-80, (2003)
  • Beil. 2 ,IV,152
  • Beilstein:2(1)60

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • 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
RTECSAJ1925000
Signal word Warning
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S25 Avoid contact with eyes 避免眼睛接触;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
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
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+P242+P243
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P332+P313
  • P337+P313
  • 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.....
UN Number 1104
Packing GroupIII
Hazard Codes 3 Xi
Storage condition 密封阴凉处保存。 Flammables area
Hazard Class3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - other transferases
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   35,21,1974

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 5000 mg/m3/30M
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AHYGAJ Archiv fuer Hygiene.  (Munich, Fed. Rep. Ger.)  V.1-100, 1883-1928.
   For publisher information, see ZHPMAT.  Volume(issue)/page/year: 78,260,1913

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 7400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,357,1986

其他信息

  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • 乙酸戊酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80007528 乙酸正戊酯;乙酸戊酯;醋酸正戊酯 500ml 75元 2011/08/23 xp400163 乙酸戊酯 5ml 41.7元 2011/08/23 40001161 乙酸正戊酯;乙酸戊酯;醋酸正戊酯 2ml 38元
  • 刺激数据:眼睛-人 1575 毫克/立方米 阳性
  • 毒性分级:低毒
  • 有香蕉香味, 对湿敏感, 能与醇、醚、苯、氯仿、二硫化碳等多数有机溶剂混溶。微溶于水,20℃时在水中溶解0.17%(重量)。能与水形成沸混合物(41%水),易燃。蒸气能与空气形成爆炸性混合物,爆炸极限1.1%-7
  • 下游产品:6-溴-3,4-二氢-3-硝基-2H-苯并吡喃 --> 醋酸奥曲肽 --> 氟烯草酸 --> 三醋精 --> 食用香精 --> 阿拉普利 --> 溴酚蓝
  • 外观性质:无色液体,有果子香味。
  • 用途二:用作油漆、涂料、香料、化妆品、粘结剂、人造革等的溶剂,用作青霉素生产的萃取剂,也可用作香料
  • 有香蕉香味, 对湿敏感, 能与醇、醚、苯、氯仿、二硫化碳等多数有机溶剂混溶。微溶于水,20℃时在水中溶解0.17%(重量)。能与水形成沸混合物(41%水)易燃。蒸气能与空气形成爆炸性混合物,爆炸极限1.1%-7.5%(体积)
  • 上游原料:碳酸钠 --> 1-戊醇
  • 图谱信息:乙酸戊酯(628-63-7)质谱(MS) 乙酸戊酯(628-63-7)Raman光谱 乙酸戊酯(628-63-7)核磁图( 13 CNMR) 乙酸戊酯(628-63-7)核磁图( 1 HNMR) 乙酸戊酯(628-63-7)红外图谱(IR1)
  • 职业标准:TWA 525 毫克/立方米; STEL 655 毫克/立方米
  • 用途四:青霉素、丹宁和铂、钯、铑等金属的萃取剂。测定铬的试剂。
  • 类别:易燃液体
  • TCI Shanghai:乙酸戊酯 Amyl Acetate,>;98.0%(GC)(628-63-7)
  • Sigma Aldrich:628-63-7(sigmaaldrich)
  • Alfa Aesar:乙酸正戊酯,tech. n-Pentyl acetate, tech.(628-63-7)
  • 海关编码:29153930
  • 用途三:作为溶剂,可用于涂料,香料、化妆品、木材粘结剂,也用于人造皮革加工、纺织加工、胶卷和火药制造等方面。在医药上作青霉素的萃取剂。
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • Acros Or
  • 蒸气密度:4.5 (vs air)
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • 用途一:用作溶剂
  • MOL 文件:628-63-7.mol
  • 方法一:在乙酐和浓硫酸存在下,由乙酸与正戊醇反应而得。先加入乙酸、戊醇、乙酐,再加入浓硫酸,然后加热回流8h,冷后用水洗涤两次,用5%碳酸钠中和至pH=8,并用水洗至中性,用无水碳酸钠干燥,再进行分馏,147-149℃下收集馏分即得成品。产品规格:含量在98%以上,沸馏(馏出95%)147-150℃。国际市场99%纯度的商品的熔点为-100℃,折光率1.4019,相对密度0.876(20/4℃),闪点23℃。原料消耗定额:冰醋酸(98%)950kg/t、正戊醇(工业品)950kg/t、硫酸50kg/t、碳酸钠200kg/t。
  • Pentyl acetate is banana essence that is used as a test odorant in studies of olfactory function and of the psychosocial effects of odor.
  • F:21
  • 蒸气压:4 mm Hg ( 20 °C)

系列性分类


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