甲氧基乙醛 | 10312-83-1

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 甲氧基乙醛
• 英文名称: methoxyacetaldehyde
• 英文别名: 2-methoxyacetaldehyde；methoxyethanal
• CAS: 10312-83-1
• 化学式: C₃H₆O₂
• 分子量: 74.0794
• InChiKey: YSEFYOVWKJXNCH-UHFFFAOYSA-N

物化性质

• 沸点：
  99-101℃
• 密度：
  0.906±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  -38.9±13.4℃
• LogP：
  -0.640 (est)
• 保留指数：
  557

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险类别码：
  R36/37/38,R11
• 海关编码：
  2912499000
• 危险品运输编号：
  UN 1993
• 储存条件：
  室温

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Methoxyacetaldehyde
: CDS019501
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 10312-83-1

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 2), H225
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Dermal (Category 4), H312
Eye irritation (Category 2), H319
Skin sensitisation (Category 1), H317
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22, R36, R43
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
Highly flammable liquid and vapour.
H302 + H312 Harmful if swallowed or in contact with skin
May cause an allergic skin reaction.
Causes serious eye irritation.
Precautionary statement(s)
Keep away from heat, hot surfaces, sparks, open flames and other
ignition sources. No smoking.
Wear protective gloves/ protective clothing.
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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Formula : C3H6O2
Molecular weight : 74,08 g/mol
CAS-No. : 10312-83-1
EC-No. : 233-693-5
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Methoxyacetaldehyde
CAS-No. 10312-83-1 Flam. Liq. 2; Acute Tox. 4; Eye <= 100 %
EC-No. 233-693-5 Irrit. 2; Skin Sens. 1; H225,
H302 + H312, H317, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Methoxyacetaldehyde
CAS-No. 10312-83-1 Xn, R22 - R36 - R43 <= 100 %
EC-No. 233-693-5
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Do NOT induce vomiting. 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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
No data available
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
Use water spray to cool unopened containers.

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
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.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
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.
Storage class (TRGS 510): Flammable liquids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
Face shield and safety glasses 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
Complete suit protecting against chemicals, Flame retardant antistatic protective 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 AXBEK (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).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

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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 No data available
point
f) Initial boiling point and No data available
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 No data available
n) Water solubility No data available
o) Partition coefficient: n- log Pow: -0,028
octanol/water
p) Auto-ignition 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
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - No data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
LD50 Dermal - Rabbit - 1.170 mg/kg
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
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
Additional Information
RTECS: AB2940000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 1989 IMDG: 1989 IATA: 1989
UN proper shipping name
ADR/RID: ALDEHYDES, N.O.S. (Methoxyacetaldehyde)
IMDG: ALDEHYDES, N.O.S. (Methoxyacetaldehyde)
IATA: Aldehydes, n.o.s. (Methoxyacetaldehyde)
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: II IMDG: II IATA: II
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
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  甲氧基乙醛 在 air 、 cobalt(II) acetate 作用下， 生成 甲氧基乙酸
  参考文献：
  名称：

  Manufacture of alkoxyacetaldehydes and alkoxyacetic acids

  摘要：

  公开号：

  US02000604A1
• 作为产物：
  描述：

  1,1,3-三甲氧基丙烷 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 0.08h， 生成 甲氧基乙醛
  参考文献：
  名称：

  [EN] QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] COMPOSES DE QUINOLEINE ET COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI

  摘要：

  本申请涉及具有药理活性的公式（I）的喹啉化合物，以及其制备过程，包含它们的组合物和在治疗中枢神经系统和其他疾病中的使用。

  公开号：

  WO2005026125A1
• 作为试剂：
  描述：

  7-amino-8-(2-hydroxy-2-methylpropyl)-2-[2-methoxy-4-(piperid-4-yl)phenylamino]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide dihydrochloride 、 1,2-二氯乙烷 在 甲氧基乙醛 、 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 作用下， 反应 2.0h， 以69%的产率得到7-amino-2-{4-[1-(2-chloroethyl)piperid-4-yl]-2-methoxyphenylamino}-8-(2-hydroxy-2-methylpropyl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
  参考文献：
  名称：

  5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES

  摘要：

  本发明涉及5-氧代-5,8-二氢吡啶并[2,3-d]嘧啶衍生物，其制备和治疗用途。

  公开号：

  US20120277220A1

文献信息

• ANTI-EGFR ANTIBODY DRUG CONJUGATES
  申请人：AbbVie Inc.

  公开号：US20190153107A1

  公开（公告）日：2019-05-23

  The invention relates to anti-Epidermal Growth Factor Receptor (EGFR) antibody drug conjugates (ADCs) which inhibit Bcl-xL, including compositions and methods of using said ADCs.

  这项发明涉及抑制Bcl-xL的抗表皮生长因子受体（EGFR）抗体药物结合物（ADCs），包括使用所述ADCs的组合物和方法。
• Total Synthesis of Pederin and Analogues
  作者：Fanghui Wu、Michael E. Green、Paul E. Floreancig

  DOI：10.1002/anie.201006438

  日期：2011.2.1

  A ten‐step program: The potent cytotoxin pederin and several analogues have been prepared through an efficient route that proceeds in ten steps (longest linear sequence) from isobutyraldehyde. The key transformation is a multicomponent N‐acylaminal construction (see scheme) that allows for late‐stage fragment coupling and diversification.

  十步程序：有效的细胞毒素 pederin 和几种类似物已通过有效途径制备，该途径从异丁醛分十步（最长线性序列）进行。关键的转变是多组分N-酰基层结构（见方案），允许后期片段耦合和多样化。
• Total Synthesis and Biological Evaluation of Pederin, Psymberin, and Highly Potent Analogs
  作者：Shuangyi Wan、Fanghui Wu、Jason C. Rech、Michael E. Green、Raghavan Balachandran、W. Seth Horne、Billy W. Day、Paul E. Floreancig

  DOI：10.1021/ja207331m

  日期：2011.10.19

  N-acyl aminal and functional groups in the two major subunits on biological activity. These analogs, including a pederin/psymberin chimera, were analyzed for their growth inhibitory effects, revealing several new potent cytotoxins and leading to postulates regarding the molecular conformational and hydrogen bonding patterns that are required for biological activity. Second generation analogs have been

  有效的细胞毒素 pederin 和 psymberin 是通过简洁的合成路线（最长线性序列中分别为 10 和 14 步）制备的，这些路线通过后期多组分方法构建 N-酰基氨基键。该路线允许轻松制备许多类似物，这些类似物旨在探索 N-酰基氨基中的烷氧基和两个主要亚基中的官能团对生物活性的重要性。这些类似物，包括 pederin/psymberin 嵌合体，分析了它们的生长抑制作用，揭示了几种新的有效细胞毒素，并导致关于生物活性所需的分子构象和氢键模式的假设。第二代类似物已根据初始测定的结果和这些化合物与核糖体结合的基于结构的模型制备。报道了这些化合物的生长抑制特性。这些研究表明，一般的有机化学，特别是后期多组分反应，在开发独特而有效的生物反应效应物方面可以发挥深远的作用。
• [EN] PEDERIN AND PSYMBERIN AGENTS<br/>[FR] AGENTS DE PÉDÉRINE ET PSYMBÉRINE
  申请人：UNIV PITTSBURGH

  公开号：WO2013016120A1

  公开（公告）日：2013-01-31

  Compounds that include a pederin, psymberin or pederin/psymberin chimera scaffold. The pederin scaffold includes a substituent at the C10 and/or C13 position that may include a linker that may be conjugated to a targeting moiety. The psymberin scaffold includes a substituent at the C8 and/or C11 positions that may include a linker that may be conjugated to a targeting moiety. The pederin/psymberin chimera scaffold includes a substituent at the C10 and/or C13 position that may include a linker that may be conjugated to a targeting moiety. The pederin, psymberin or pederin/psymberin chimera scaffold may be modified to include substituents at positions other than the C10 or C 13 of pederin, or the C8 and C11 of psymberin.

  包括pederin、psymberin或pederin/psymberin嵌合骨架的化合物。pederin骨架包括C10和/或C13位置的取代基，可能包括可与靶向基结合的连接基。psymberin骨架包括C8和/或C11位置的取代基，可能包括可与靶向基结合的连接基。pederin/psymberin嵌合骨架包括C10和/或C13位置的取代基，可能包括可与靶向基结合的连接基。pederin、psymberin或pederin/psymberin嵌合骨架可能被修改，以在pederin的C10或C13位置，或psymberin的C8和C11位置以外的位置包括取代基。
• Structure–activity study of l-amino acid-based N-type calcium channel blockers
  作者：Takuya Seko、Masashi Kato、Hiroshi Kohno、Shizuka Ono、Kazuya Hashimura、Hideyuki Takimizu、Katsuhiko Nakai、Hitoshi Maegawa、Nobuo Katsube、Masaaki Toda

  DOI：10.1016/s0968-0896(02)00558-8

  日期：2003.4

  amino acid residue of 1a, compound 12a, that include N-(t-butoxycarbonyl)-L-cysteine, was found to be a potent N-type calcium channel blocker with an IC(50) of 0.61 microM. Thus, L-cysteine was selected as a potential structural motif for further modification. Optimization of C- and N-terminals of L-cysteine using S-cyclohexylmethyl-L-cysteine as a central scaffold led to potent and selective N-type

  描述了基于L-氨基酸的N型钙通道阻滞剂的合成及其构效关系（SAR）。评价合成的化合物对N型和L型钙通道的抑制活性，重点是降低由于阻断L型钙通道而引起的心血管副作用的选择性。在筛选我们的化合物库的过程中，N-（叔丁氧羰基）-L-天冬氨酸衍生物1a被确定为一系列新的N型钙通道阻滞剂的初始铅化合物，该抑制剂可抑制钙流入IMR- 32个人类神经母细胞瘤细胞，IC（50）为3.4 microM。在使用IMR-32细胞的电生理实验中，化合物1a也显示出N型钙通道电流的阻滞作用（在10 microM处抑制34％，n = 3）。作为1a氨基酸残基转化的结果，发现包含N-（叔丁氧羰基）-L-半胱氨酸的化合物12a是有效的N型钙通道阻滞剂，IC（50）为0.61 microM 。因此，选择L-半胱氨酸作为进一步修饰的潜在结构基序。以S-环己基甲基-L-半胱氨酸为中心支架优化L-半胱氨酸的C和N端可产生有效和选

表征谱图