N-甲基二乙酰胺 | 1113-68-4

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-甲基二乙酰胺
• 英文名称: N-methyldiacetamide
• 英文别名: N-diacetylmethylamine；DAMA；N-acetyl-N-methylacetamide；N,N-diacetyl(methyl)amine；N-Methyl-diacetamid；Diacetyl-methyl-amin
• CAS: 1113-68-4
• 化学式: C₅H₉NO₂
• mdl: MFCD00014968
• 分子量: 115.132
• InChiKey: ZNQFZPCFVNOXJQ-UHFFFAOYSA-N

物化性质

• 熔点：
  -25°C
• 沸点：
  192-194°C
• 密度：
  1,06 g/cm3
• 闪点：
  192-194°C
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与强氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn,Xi,T
• 安全说明：
  S26,S36,S36/37/39,S39
• 危险类别码：
  R20/21/22,R36/37/38,R22,R37/38,R41
• WGK Germany：
  3
• 海关编码：
  2925190090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN 3276 6.1/PG 3
• 储存条件：
  请将容器密封保存，并存放在阴凉、干燥处。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : N-Acetyl-N-methylacetamide
CAS-No. : 1113-68-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Eye irritation (Category 2)
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C5H9NO2
Molecular Weight : 115,13 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: -25 °C
point
f) Initial boiling point and 195 °C at 1.013 hPa
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,066 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 0,05
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes
Causes eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-甲基二乙酰胺 在 lithium aluminium deuteride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 N,N-bis(ethyl-1,1-d2)methylamine
  参考文献：
  名称：

  Stereodynamics of diethylmethylamine and triethylamine

  摘要：

  DOI：

  10.1021/ja00387a012
• 作为产物：
  描述：

  Trimethylsilyl-essigsaeure-N-acetyl-N-methyl-amid 以 甲醇 为溶剂， 生成 N-甲基二乙酰胺
  参考文献：
  名称：

  烯酮与甲硅烷基化胺或酰胺的相互作用

  摘要：

  在对乙烯酮与单或二烷基氨基硅烷的相互作用的研究中，观察到许多新的重排。当受到烯酮作用时，二烷基氨基硅烷根据所施加的条件，会生成β-甲硅烷氧基乙烯基乙酸（I）的酰胺（路线“ a”，方案A）或甲硅烷基乙酸的酰胺（II）（路线“ b”，“ C”）。在两种情况下，均分离出中间体α-甲硅烷氧基乙烯基二烷基胺（III），可以将其重新排列以得到酰胺（II）。

  DOI：

  10.1016/s0022-328x(00)88613-1
• 作为试剂：
  描述：

  methyl (2S,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1R,2S)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 在 水 、 sodium 、 potassium carbonate 、 N-甲基二乙酰胺 、 sodium hydroxide 作用下， 以 甲醇 、 氯仿 、 水 、 乙腈 为溶剂， 反应 195.0h， 生成 (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethoxy}oxane-2-carboxylic acid
  参考文献：
  名称：

  顺磁性唾液酸缀合物作为磁共振应用探针的合成与表征。

  摘要：

  作为临床诊断工具，使用顺磁性系统作为造影剂的磁共振成像（MRI）受到越来越多的关注。同时，顺磁性系统的NMR也可以应用于生化领域。例如，顺磁弛豫增强（PRE）的使用可以使结构细化，并可以分析涉及大分子复合物形成的瞬态动力学过程。在这里，我们报告了一种新的类似DOTA的唾液酸共轭物的合成和计算表征，当与合适的顺磁性金属配合使用时，可以在MRI和PRE应用中使用。

  DOI：

  10.1016/j.carres.2012.03.002

文献信息

• Mid- and near-IR study of the hydrogen bond interaction between N-methyldiacetamide and phenols
  作者：N. Leroux、C. Samyn、Th. Zeegers-Huyskens

  DOI：10.1016/s0022-2860(98)00352-4

  日期：1998.7

  The hydrogen bond complexes between phenol derivatives (p K a = 10.20−8.20) and N -methyldiacetamide (NMD) are studied by mid- and near-IR spectroscopy in carbon tetrachloride solution. The equilibrium constants and enthalpies of complex formation are determined and the results suggest that the proton acceptor ability of NMD is lower than that of monocarbonyl bases. Complex formation results in decoupling

  摘要 利用中红外和近红外光谱在四氯化碳溶液中研究了苯酚衍生物（p K a = 10.20−8.20）与N-甲基二乙酰胺（NMD）之间的氢键配合物。确定了复合物形成的平衡常数和焓，结果表明 NMD 的质子受体能力低于单羰基碱的质子受体能力。复杂的形成导致 ν(CO) 振动解耦。结合 ν(OH) 振动的频率和强度由基本和第一泛音过渡确定。氢键的形成导致机械非谐性的非常微弱的增加和 OH 伸缩振动的第一泛音强度的强烈降低。计算第一 (μ1) 和第二 (μ2) 偶极矩导数。在这个有限的领域，
• Acyl Iodides in Organic Synthesis. Reaction of Acyl Iodides with N,N-Dimethyl Carboxylic Acid Amides
  作者：M. G. Voronkov、I. P. Tsyrendorzhieva、V. I. Rakhlin

  DOI：10.1134/s1070428010100064

  日期：2010.10

  Acyl iodides RCOI (R = Me, Ph) reacted with N,N-dimethylformamide and N,N-dimethylacetamide Me2NC(=O)R’ (R’ = H, Me) along two concurrent pathways involving transacylation and cleavage of the Me-N bond. The first pathway leads to the formation of acyl group exchange products, and the second, to the corresponding imides R’CON(Me)COR.

  酰基碘RCOI（R = Me，Ph）与N，N-二甲基甲酰胺和N，N-二甲基乙酰胺Me 2 NC（= O）R'（R'= H，Me）沿着两个同时发生的途径发生转移，这些转移涉及酰基转移和裂解Me-N键。第一个途径导致酰基交换产物的形成，第二个途径导致相应的酰亚胺R'CON（Me）COR。
• Reaction of iodo(trimethyl)silane with N,N-dimethyl carboxylic acid amides
  作者：M. G. Voronkov、I. P. Tsyrendorzhieva、A. V. Lis、V. I. Rakhlin

  DOI：10.1134/s1070428010060035

  日期：2010.6

  (R = H, Me) at a molar ratio of 1: 2 involved mainly cleavage of the N-C(=O) bond with formation of up to 80% of N,N-dimethyltrimethylsilylamine Me3SiNMe2 and the corresponding acyl iodide RCOI. In the reaction with N,N-dimethylformamide, formyl iodide HCOI was detected for the first time by gas chromatography-mass spectrometry. The contribution of Me-N bond cleavage, leading to N-methyl-N-trimethylsilyl

  碘代（三甲基）硅烷与N，N-二甲基甲酰胺和N，N-二甲基乙酰胺Me 2 NCOR（R = H，Me）的摩尔比为1：2的反应主要涉及NC（= O）键的裂解形成高达80％的N，N-二甲基三甲基甲硅烷基胺Me 3 SiNMe 2和相应的酰基碘RCOI。在与N，N-二甲基甲酰胺的反应中，通过气相色谱-质谱法首次检测到甲酰碘HCOI。Me-N键断裂的贡献，导致N-甲基-N-三甲基甲硅烷基衍生物Me（Me 3Si）NCOR和碘甲烷要小得多。另一副产物是相应的N-甲基酰亚胺MeN（COR）2，其通过初始酰胺与酰基碘的反应形成。碘代（三甲基）硅烷与DMF和DMA反应的主要中间体是季铵盐[Me 2（Me 3 Si）N + COR] I- ，它通过N-CO和N-Me键的解离而分解。
• Hofmann, Chemische Berichte, 1881, vol. 14, p. 2730
  作者：Hofmann

  DOI：——

  日期：——
• Difficulties in the interaction of the free electron pair in diacetophosphides and diacetamides
  作者：R. G. Kostyanovskii、V. V. Yakshin、S. L. Zimont、I. I. Chervin

  DOI：10.1007/bf00908447

  日期：1968.2

表征谱图