苄氧基乙醛二乙基乙缩醛 | 42783-78-8

• 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 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苄氧基乙醛二乙基乙缩醛
• 中文别名: [(2,2-二乙氧基乙氧基)甲基]苯；苄氧基乙醛缩二乙醇
• 英文名称: benzyloxyacetaldehyde diethyl acetal
• 英文别名: 2,2-diethoxyethoxymethylbenzene
• CAS: 42783-78-8
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: VTYTZCJKJNWMGA-UHFFFAOYSA-N

物化性质

• 沸点：
  99-100 °C/0.6 mmHg (lit.)
• 密度：
  0.987 g/mL at 25 °C (lit.)
• 闪点：
  175 °F
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S24/25
• 危险类别码：
  R22
• 海关编码：
  2911000000
• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  密封、阴凉、干燥保存

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Benzyloxyacetaldehyde diethyl acetal
CAS-No. : 42783-78-8
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]
Acute toxicity, Oral (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Safety data sheet available on request.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
S-phrase(s) none
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13H20O3
Molecular Weight : 224,3 g/mol
Component Concentration
Benzyloxyacetaldehyde diethyl acetal
CAS-No. 42783-78-8 -

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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
Flush eyes with water as a precaution.
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
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
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting 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 vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations.
Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
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). 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.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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 use(s)
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
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, 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
Colour: colourless
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 99 - 100 °C at 0,8 hPa - lit.
boiling range
g) Flash point 79 °C - closed cup
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 0,987 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 2,446
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
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks. Extremes of temperature and direct sunlight.
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 Harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause 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
Toxic to aquatic life.
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
This combustible material may be burned in a chemical incinerator equipped with an afterburner and
scrubber. 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
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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  苄氧基乙醛二乙基乙缩醛 在 sodium hydroxide 、 N-氯代丁二酰亚胺 、 正丁基锂 、 水 、 碘 、 乙酸酐 、 溶剂黄146 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 氯仿 为溶剂， 反应 130.0h， 生成 5-chloro-3-(phenylmethoxymethyl)-3,4-dihydro-1H-pyrimido[1,6-c][1,3]oxazine-6,8-dione
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 3-Hydroxymethylpyrimido[1,6-c][1,3]oxazine Derivatives

  摘要：

  A number of 5-substituted 3-hydroxymethylpyrimido[1,6-c][1,3]oxazine derivatives were synthesized and evaluated for their biological activity. Compound (10) showed slight activity (GI(50) = 2.7 mu M) against MDA-MB-231/ATTC Breast Cancer cell line.

  DOI：

  10.3987/com-96-7607
• 作为产物：
  描述：

  2-溴-1,1-二乙氧基乙烷 、 苯甲醇 在 四丁基碘化铵 、 sodium hydride 作用下， 以70%的产率得到苄氧基乙醛二乙基乙缩醛
  参考文献：
  名称：

  Synthesis of three selectively deuterated propylene oxides

  摘要：

  我们合成了三种不同的选择性氚代氧化丙烯，用于对水合物凝块笼内氧化丙烯的动态进行准弹性中子散射研究。Copyright © 2011 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jlcr.1867

文献信息

• [EN] TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] INHIBITEURS TRICYCLIQUES DE GYRASE UTILISABLES COMME AGENTS ANTIBACTÉRIENS
  申请人：TRIUS THERAPEUTICS INC

  公开号：WO2014043272A1

  公开（公告）日：2014-03-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. In addition, species of tricyclic gyrase inhibitors compounds are also disclosed herein. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有化学式I结构的化合物及其药用盐、酯和前药，这些化合物可用作抗菌有效的三环酶抑制剂。此外，本文还披露了三环酶抑制剂化合物的种属。还考虑了相关的药用组合物、用途和制备这些化合物的方法。
• Asymmetric synthesis of proline-based conformationally constrained tryptophan mimetic
  作者：Pierre-Olivier Delaye、Jean-Luc Vasse、Jan Szymoniak

  DOI：10.1039/c0ob00118j

  日期：——

  The synthesis of an optically pure proline-based tryptophan mimetic is described. The strategy involves the in situ generation of an unprecedented allylmetal species containing the indole moiety, and its coupling with a chiral imine. The construction of the 3-substitued proline skeleton is then achieved through a hydrozirconation/iodination sequence applied to the resulting homoallylic amine.

  光学纯的合成 脯氨酸-基于 色氨酸描述了模仿。该战略涉及就地产生史无前例的烯丙基金属 包含 吲哚部分，及其与手性亚胺的偶联。然后，通过将加氢锆/碘化序列应用于所得到的产物，来构建3-取代的脯氨酸骨架。均烯丙基胺。
• TRICYCLIC GYRASE INHIBITORS
  申请人：Bensen Daniel

  公开号：US20120238751A1

  公开（公告）日：2012-09-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有式I结构的化合物，以及作为抗菌有效的三环酶抑制剂的药用盐、酯和前药，相关的药物组合物、用途和制备该化合物的方法也在考虑之中。
• A new type of pH-sensitive phospholipid
  作者：Li Zhan、Shuyuan Chang、Ting Liu、Shanbao Yu、Hui Li、Minjie Lu、Yong Zhu、Yu Luo、Jiahui Yu、Fan Yang、Jie Tang

  DOI：10.1016/j.tetlet.2017.11.013

  日期：2017.12

  We describe the synthesis and characterization of a type of pH-sensitive pentaerythritol phospholipids, using a trialkoxybenzylidene acetal as the acid-labile moiety. This lipid was prepared by an eight-step synthesis via a latentiation strategy. Liposomes were prepared via the thin film extrusion method. The changes of liposomal sizes were measured by dynamic light scattering. Content release rates

  我们描述了使用三烷氧基亚苄基乙缩醛作为酸不稳定部分，对一类pH敏感的季戊四醇磷脂的合成和表征。该脂质通过潜在化策略通过八步合成制备。脂质体通过薄膜挤出法制备。通过动态光散射测量脂质体大小的变化。通过使用钙黄绿素荧光去猝灭测定来监测脂质体的含量释放速率随pH的变化。这些结果表明，这种新的脂质体系统能够在中等酸性条件下释放其内含物。最后，针对三种细胞系进行了体外细胞毒性测定，表明这种磷脂是低毒性的。
• Silyl nitronates and nitrile oxides in organic synthesis. A novel route to d,l-deoxysugars. Use of aluminum oxide as solid phase base for generation of
  作者：K.B.G. Torssell、A.C. Hazell、R.G. Hazell

  DOI：10.1016/s0040-4020(01)91358-4

  日期：1985.1

  to a diene. 2. Stereospecific hydroxylation of the double bond. 3. Unmasking of the aldol moiety by catalytic reduction of the 2-isoxazoline. The syntheses of D,L-deoxyribose, D,L-oleose, D,L-digitoxose, D,L-2-deoxygalactose, 1,3-dideoxyfructose, 3-deoxyfructose etc. are described. Basic aluminum oxide is introduced as a solid phase base for the one step synthesis of 2-isoxazolines from aldoximes and

  为脱氧醛糖和脱氧酮糖的三步合成开发了新的方法：1.选择性地将亚硝酸甲硅烷基酯或氧化亚氮区域选择性地加成到二烯中。2.双键的立体特异性羟基化。3.通过催化还原2-异恶唑啉使醛醇部分不掩盖。描述了D，L-脱氧核糖，D，L-油糖，D，L-指氧糖，D，L-2-脱氧半乳糖，1，3-二脱氧果糖，3-脱氧果糖的合成。引入碱性氧化铝作为固相碱，用于由醛肟和烯烃一步合成2-异恶唑啉。化合物的X射线衍射研究验证了立体化学分配。