4-甲基-2-戊酮 | 108-10-1
中文名称:
4-甲基-2-戊酮
英文名称:
4-Methyl-2-pentanone, Dehydrated
CAS No.:
108-10-1
分子式:
C6 H1 2 O
分子量:
100.158882141113
管制类
名称和标识符
MDL
MFCD00008938
InChIKey
NTIZESTWPVYFNL-UHFFFAOYSA-N
Inchi
1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
SMILES
CC(C)CC(=O)C
BRN
605399
别名信息
- 中文别名 -
4-甲基-2-戊酮
甲基异丁基(甲)酮
六碳酮
异己酮
甲基异丁基酮
甲基异丁酮
2-甲基-4-戊酮
(MIBK)甲基异丁基甲酮
2-戊酮
4-甲基2-戊酮
甲基酮
甲基异丁基甲酮
甲基异丁基甲酮(MIBK)
甲基异丁基酮MIBK
甲基异丁甲酮
甲基异丁基甲酮,甲基异丁基酮MIBK
异丁基甲基酮
异丙基丙酮
甲基戊酮
甲基异丙酮
2-异己酮
甲基异戊酮
異丙基丙酮
甲基异丁酮MLBK
- 英文别名 -
2-Methyl-4-pentanone
Isobutyl methyl ketone
Isopropylacetone
Methyl isobutyl ketone
MIBK
Hexone
Methyl isobutyl keton
4-Methyl-2-pentanone
4-Methyl-2-pentanone solution
4-Methyl-2-pe
4-Methyl-2-pentanone2000µg
4-methylpentan-2-one
Isobutyl methyl ketone,Isopropylacetone,Methyl isobutyl ketone
MIK
MIKB
Hexon
ai3-01229
shellmibk
FEMA 2731
Methyl Is
Shell mibk
Isobutyl Methyl Ketone
Methyl Isobutyl Ketone
HEXONE
4-Methyl-2-pentanone, Dehydrated
methylisobutyl-keton
Metyloizobutyloketon
iso-C4H9COCH3
CCRIS 2052
METHYL ISOBUTYL KETONE (IARC)
4-Methyl-pentan-2-on [Dutch, German]
ISOBUTYL METHYL KETONE (METHYL ISOBUTYL KETONE)
4-Methyl-2-pentanone, suitable for atomic absorption spectrometry, >=99.5%
METHYL ISOBUTYL KETONE
UNII-U5T7B88CNP
Methyl Isobutyl Ketone, Pharmaceutical Secondary Standard
Certified Reference Material
Rcra waste number U161
Isobutyl-methylketon
CHEMBL285323
METHYLISOBUTYLKETONE (USP-RS)
FT-0628744
4-Methyl-2-pentanone, >=99%
isobutylmethylketone
Methyl isobutyl ketone [NF]
4-METHYL-2-PENTANONE [FCC]
4-Methyl-2-pentanone (natural)
Q-200495
DTXSID5021889
M0389
Methyl I-butyl ketone
HSDB 148
4-Methyl-2-pentanone, technical grade, 95%
Methyl isobutyl ketone, United States Pharmacopeia (USP) Reference Standard
UN1245
EINECS 203-550-1
Isohexanone
InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H
CHEBI:82344
F1908-0087
Isobutyl-methylketon [Czech]
UN 1245
Methyl isobutyl ketone, p.a., ACS reagent, 98.5%
2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE
Ketone, isobutyl methyl
D04989
RCRA waste no. U161
4-Methyl-2-pentanone, puriss. p.a., ACS reagent, >=99.0% (GC)
methyl-iso-butylketone
EC 203-550-1
4-METHYL-2-PENTANONE [FHFI]
NS00009293
METHYL ISOBUTYL KETONE (USP-RS)
4-Methyl-2-pentanone, analytical standard
J-515799
methyl-isobutyl ketone
METHYL ISOBUTYL KETONE (MART.)
4-Methyl-pentan-2-one
ALFA-[(PHENYLMETHOXY)CARBONYL]OXY-1-PIPERIDINEACETICACIDMETHYLESTER
METHYL ISOBUTYL KETONE [USP-RS]
4-Methyl-2-pentanone, LR, >=99%
Methyl-isobutyl-cetone
SCHEMBL15458
Methyl isobutyl ketone (NF)
NCGC00091475-01
MIBK [INCI]
EPA Pesticide Chemical Code 044105
isobutylmethyl ketone
4-Methyl-2-pentanone, JIS special grade, >=99.5%
4-Methyl-2-pentanone, for HPLC, >=99.5%
methyl isobutyl keton
AKOS000118793
methylisobutyketone
methyl isobutylketone
METHYL ISOBUTYL KETONE [MART.]
METHYL ISOBUTYL KETONE [IARC]
4-methyl-2pentanone
AI3-01229
methylisobutlyketone
methylisobutyl keton
A801806
4-Metilpentan-2-one
Methylisobutylketon
methyl iso-butylketone
4-Methylpentan-2-one
methy isobutyl ketone
DTXCID701889
SCHEMBL13341539
Q418104
Methyl isobutyl ketone, ACS grade
METHYL ISOBUTYL KETONE [HSDB]
BP-13453
2-Methylpropyl methyl ketone
MFCD00008938
Methylpentan-2-one
NSC-5712
methylisobutylketone
4-Methyl-2-pentanone, AR, >=99%
Hexon [Czech]
METHYL ISO-BUTYL KETONE
4-Methyl-2-pentanone, HPLC Grade
C19263
4-Methyl-2-pentanon
2-Methyl-4-pentanal
Metilisobutilchetone
Methylisobutylketon [Dutch, German]
4-Methyl-2-pentanone, >=99%, FCC
ISOPROPYLACETONE [MI]
4-Metilpentan-2-one [Italian]
4-Methyl-2-pentanone(MIBK)
4-Methyl-2-pentanone, puriss., ACS reagent, reag. Ph. Eur., 99.0%
Tox21_201108
FEMA Number 2731
4-01-00-03305 (Beilstein Handbook Reference)
methylisobutyl ketone
4-methylpentane-2-one
LMFA12000033
FEMA No. 2731
NSC 5712
i-BuCOMe
NCGC00091475-02
NCGC00258660-01
4-methyl- 2-pentanone
4-Methyl-2-oxopentane
methyl-isobutylketone
Caswell No. 574AA
4-methyl 2-pentanone
4-Methyl-2-pentanone, SAJ first grade, >=99.0%
CAS-108-10-1
4-Methyl-pentan-2-on(DUTCH, GERMAN)
Methyl-2-pentanon,4-
4-Methyl-2-pentanon [Czech]
WLN: 1Y1 & 1V1
2-Pentanone, 4-methyl-
methyl 2-methylpropyl ketone
Methylisobutylketon(DUTCH, GERMAN)
METHYLISOBUTYLKETONE [USP-RS]
AMY11098
U5T7B88CNP
4-Methyl-pentan-2-on
BRN 0605399
Methyl-isobutyl-cetone [French]
Metyloizobutyloketon [Polish]
NSC5712
Isopropyl acetone
4-Methyl-2-pentanone, ACS reagent, >=98.5%
Methyl isobutyl ketone [UN1245] [Flammable liquid]
Metilisobutilchetone [Italian]
iso-butylmethylketone
ethyl iso-butyl ketone
108-10-1
Hexanone
Ethyl iso-butyl ketone
物化性质
实验特性
LogP
1.62150
PSA
17.07000
Merck
5207
折射率
n20/D 1.395(lit.)
水溶性
17 g/L (20 ºC)
沸点
117-118 °C
熔点
−80 °C (lit.)
蒸气压
15.7 mmHg
闪点
华氏:57.2 °F 摄氏:14 °C
FEMA
2731
溶解度
water: soluble20g/L
浓度
5000 μg/mL in methanol
颜色与性状
无色透明液体,有令人愉快的酮样香味。[1]
溶解性
微溶于水,易溶于多数有机溶剂。[15]
敏感性
对湿度敏感
密度
0.801 g/mL at 25 °C(lit.)
电离电势
9.30 eV
计算特性
精确分子量
100.08900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
2
同位素质量
100.089
重原子数量
7
复杂度
64.6
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
17.1A^2
海关数据
海关编码
2914130000
海关数据
中国海关编码:
2914130000
生产方法和用途
方法
其制备方法有异丙醇法和丙酮法。(1)异丙醇法以异丙醇为原料,在常压、温度180~220℃通过铝铜催化剂,使异丙醇脱氢成丙酮,再与异丙醇缩合脱水而得产品。(2)丙酮法将丙酮加热,蒸气通过****催化剂,在常压下反应得到双丙醇酮。双丙醇酮在磷酸催化剂存在下进行脱水反应得异丙烯丙酮,将异丙烯丙酮在铜催化剂存在下催化加氢,温度170~200℃,得产品。
由异丙叉丙酮在160~190℃下通过镍催化剂进行轻度氢化而成。由甲基异丁基甲醇氧化而得。
由异丙叉丙酮经催化选择加氢而得。1t产品消耗异丙叉丙酮约1220kg,氢气550m3。另一种生产工艺是丙酮一步法。液体丙酮经预热,在KON-AL2O3-Pb、Mg-SiO-Pb、阳离子交换树脂-钯、磷酸锆-巴和铜铬等双功能催化剂作用下,在一个固定床反应器中缩合、脱水和加氢反应,生成MIBK。该法流程短,投资小,转化率高,成本低。国内最大的MIBK装置,由金陵石化化肥厂与天津大学合作,采用丙酮一步法,在95年2月投产,产品纯度达到99%。也可由异丙醇在常压下缩合而得。
用200L(53 US gal)铁桶包装,每桶净重160kg。贮运中注意防火。按易燃化学品规定贮运。
用途
用作溶剂,也用作润滑油的脱蜡剂
用作色谱分析标准物质、溶剂及萃取剂
4-甲基-2-戊酮又称甲基异丁基酮,是杀鼠剂鼠完的中间体。
香料。主要用以配制朗姆酒、干酪和水果型香精。
该品是优良的中沸点溶剂。用作选矿剂、油品脱蜡用溶剂、彩色影片的成色剂,也用作四环素和除虫菊酯类和DDT的溶剂、粘合剂、橡胶胶水、飞机和模型的蒙布漆。对一些无机盐也是有效的分离剂,可从铀中分出钚,从钽分出铌,从铪分出锆。它的过氧化物是聚酯类树脂聚合反应中非常重要的引发剂。也用于有机合成工业。还可用作乙烯型树脂的抗凝剂和稀释剂。
是优良的中沸点溶剂。用作选矿剂;油品脱蜡用溶剂;彩色影片的成色剂,也用作四环素和除虫菊酯类和DDT的溶剂;粘合剂;橡胶胶水;飞机和模型的蒙布漆。对一些无机盐也是有效的分离剂,可从铀中分出钚,从钽分出铌,从铪分出锆。它的过氧化物是聚酯类树脂聚合反应中非常重要的引发剂。也用于有机合成工业。还可用作乙烯型树脂的抗凝剂和稀释剂。
相关文献
1.
Quantification of selected volatile organic compounds in human urine by gas chromatography selective reagent ionization time of flight mass spectrometry (GC-SRI-TOF-MS) coupled with head-space solid-phase microextraction (HS-SPME)
Pawe? Mochalski,Karl Unterkofler Analyst 2016 141 4796
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Peter J. Streete,Manjit Ruprah,John D. Ramsey,Robert J. Flanagan Analyst 1992 117 1111
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The recovery of gallic acid from wastewater by extraction with tributyl phosphate/4-methyl-2-pentanone/n-hexane, tributyl phosphate/n-octanol/n-hexane and n-hexanol
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参考资料
Reaxys RN
605399
Beilstein
605399
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