Musk Ketone 酮麝香

CAS 81-14-1 MFCD00024271

化学结构图

81-14-1
SMILES: CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C

化学属性

Mol. Formula(CH3)3CC6(NO2)2(CH3)2COCH3
Mol. Weight294
Melting Point135-139 °C(lit.)
TSCAYes
Solubility不溶 (<0.1 G/100 ML AT 20 ºC)
Flash Point2 °C
Appearance 浅黄色粉状或片状结晶。熔点134.5-136.5℃，溶于95%乙醇1.8%、苯甲酸苄酯25%、苄醇13%及其他一些油质香料中，闪点>;100℃。有甜而似麝香样的动物香，香气较柔和，相当持久。

别名和识别编码

Chemical NameMusk Ketone
Synonym 4-TERT-BUTYL-3,5-DINITRO-2,6-DIMETHYL ACETOPHENONE 4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 4'-tert-Butyl-2',6'- {Chem {Chemi 3',5'-dinitro-2 1-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]ethan-1-one {Chemica {hazar Acetyl-dinitro-buty musk, ketone 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-ethanone 3’,5’-dinitro-2’,6’-dimethyl-4’-tert-butylacetophenone 麝香酮 2-acetyl-5-tert-butyl-4,6-dinitroxylene 人造麝香酮 MUSK KET 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene 1-(4-tert-but 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone 3-甲環十五酮 1-[4-(1,1-二甲基乙基)-2,6-二甲基-3,5-二硝基苯基]乙酮 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone 4’-tert-butyl-2’,6’-dimethyl-3’,5’-dinitro-ace 1-[4-(TERT-BUTYL)-2,6-DIMETHYL-3,5-DINITROPHENYL]ETHAN-1-ONE Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitro Acetophenone, 4'- 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone KETONE MOSCHUS 4’-tert-Butyl-2’,6-dimethyl-3’,5’dmnitroacetophenone 3,5-Dinitro-2,6-dimethyl-4-tert.-butylacetophen Ketone Moschus 1-(4-TERT-BUTYL-2,6-DIMETHYL-3,5-DINITRO-PHENYL)-ETHANONE 4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 麝香酮 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone; 2',6'-Dimethyl-3',5'-dinitro-4'-tert-butylacetophenone; 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenon Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- 4-tert-butyl-3,5-dinitro-2,6-dimethy
MDL NumberMFCD00024271
PubChem Substance ID6669
Beilstein Registry Number2062638
CAS Number81-14-1
EC Number201-328-9
Chemical Name Translation酮麝香
LabNetwork Molecule IDLN00193735
InChIInChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, Ketones, Life Sciences Standards, M, METI - MZ, Natural Compounds, Nitro Compounds, Other
  • {SNA} Alphabetical Listings, Essential Oils, Flavors and Fragrances, M-N
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Beil. 7 ,IV,808

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • 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。
  • 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。
  • P305+P351+P338
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302 Harmful if swallowed 吞食有害
  • H351 Suspected of causing cancer 怀疑致癌
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
RTECSKM5775841
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Danger Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R11 Highly flammable 非常易燃
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R50/53
Hazard Codes F,Xn Xn,N
Packing GroupIII
UN Number UN3077 UN1648 3/PG 2
Storage condition 2-8°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,877,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,877,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BECTA6 Bulletin of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   07094)  V.1-    1966-  Volume(issue)/page/year: 26,656,1981

其他信息

  • Sigma Aldrich:81-14-1(sigmaaldrich)
  • 上游原料:氯化锌 --> 三氯化铁 --> 异丁醇 --> 间二甲苯 --> 5-叔丁基-苯乙烯 --> 对叔丁基苯乙酮
  • 储运特性:库房通风低温干燥
  • 用途四:酮麝香有类似天然麝香香气。香气幻想逼真。用作化妆品香精和季节性用香精的定香剂。
  • 毒性分级:低毒
  • 用途三:是最好的定香剂之一，可广泛用于香精配方。但价格昂贵，仅能用于高档香水、香粉及膏霜香精中，用量一般为0.2%-1.5%。
  • 用途一:用作化妆香精及皂用香精定香剂
  • MSDS 信息:Musk ketone(81-14-1).msds
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 急性毒性:口服-大鼠 LD50: >;10000 毫克/公斤
  • 用途二:是重要的最好的硝基麝香之一，是一种很好的定香剂。广泛用于香精配方，凡需要麝香香气的都可用之，特别在甜型、东方香型和重香型香精中。与甲基紫罗兰酮、桂醇、水杨酸苄酯等共用时可产生粉香。可适量用于香皂香精中，用量一般为1%-5%。
  • MOL 文件:81-14-1.mol
  • 方法一:由间二甲苯经叔丁基化、乙酰化和硝化反应制得。叔丁基化采用异丁醇为烷基化剂时，反应温度为50-54℃。使用异丁烯进行烷基化在工艺上的合理的，在这种情况下，采用三氯化铝作催化剂，生成的1,3-二甲基-5-叔丁基苯用真空蒸馏来提纯（沸点为85-90℃/0.0016-0.0019MPa）。乙酰化采用三氯化铝作催化剂，反应温度为58-60℃，也可采用三氯化铁或氯化锌，反应温度则为90-95℃。硝化反应时，先将硝酸冷却到-8-10℃，再加入2,6-二甲基-4-叔丁基苯乙酮，在-5-8℃进行反应。硝化产物用水洗涤，所得粗品用乙醇重结晶。
  • 类别:有毒物品

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Aromatics - Chemical Class
  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. Ketones - Carbonyl Compounds
  6. C13 to C14 - Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. METI - MZ - M

相关产品推荐