(4-乙氧基-3-甲氧基苯基)丙酸 | 30044-91-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: (4-乙氧基-3-甲氧基苯基)丙酸
• 英文名称: 3-(4-ethoxy-3-methoxyphenyl)-propionic acid
• 英文别名: 3-(4-ethoxy-3-methoxy-phenyl)-propionic acid；3-(4-Aethoxy-3-methoxy-phenyl)-propionsaeure；3-(3-methoxy-4-ethoxyphenyl)propionic acid；3-(4-Ethoxy-3-methoxyphenyl)propionsaeure；3-(4-Ethoxy-3-methoxyphenyl)propanoic acid
• CAS: 30044-91-8
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: BTKVFGHQNRGQIB-UHFFFAOYSA-N

物化性质

• 熔点：
  130～132℃
• 沸点：
  357.3±27.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-(4-Ethoxy-3-Methoxyphenyl)Propanoic Acid
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.
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
Acute toxicity, Oral (Category 4), H302
Eye irritation (Category 2), H319
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
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 Warning
Hazard statement(s)
H302 Harmful if swallowed.
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
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
Molecular weight : 224,26 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
3-(4-Ethoxy-3-Methoxyphenyl)Propanoic Acid
Acute Tox. 4; Eye Irrit. 2; <= 100 %
H302, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
3-(4-Ethoxy-3-Methoxyphenyl)Propanoic Acid
Xn, R22R36 <= 100 %
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
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting 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 dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. 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 formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
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.
Storage class (TRGS 510): Non Combustible Solids
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
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
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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
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: solid
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- No data available
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
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
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
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
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
Additional Information
RTECS: Not available
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
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
H302 Harmful if swallowed.
H319 Causes serious eye irritation.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R36 Irritating to eyes.
Further information
Copyright 2014 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：

  (4-乙氧基-3-甲氧基苯基)丙酸 在 sodium hypochlorite 、 氯化亚砜 、 氯仿 作用下， 生成 4-乙氧基-3-甲氧基苯乙胺
  参考文献：
  名称：

  Slotta; Heller, Chemische Berichte, 1930, vol. 63, p. 3029,3043

  摘要：

  DOI：
• 作为产物：
  描述：

  阿魏酸甲酯 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 potassium carbonate 、 丙酮 作用下， 以 甲醇 为溶剂， 80.0 ℃ 、241.32 kPa 条件下， 反应 7.5h， 生成 (4-乙氧基-3-甲氧基苯基)丙酸
  参考文献：
  名称：

  Phanerochaete chrysosporium 对 3,4-二甲氧基肉桂酸及其衍生物的烯烃饱和和酸还原

  摘要：

  摘要 白腐真菌 Phanerochaete chrysosporium 在振荡和氮充足的培养物中代谢 3,4-二甲氧基肉桂酸。鉴定的代谢物包括3-(3,4-二甲氧基苯基)丙酸、二甲氧基肉桂醇和3-(3,4-二甲氧基苯基)-1-丙醇。还存在显着较少量的藜芦醇和香草醇。大量的丙酸和丙醇作为代谢产物表明烯烃饱和和酸还原是在这些条件下催化的重要反应。从 3-(3,4-二甲氧基苯基)-丙酸代谢中鉴定的代谢物包括上述 1-丙醇以及藜芦醇和香草醇；这些苯甲醇衍生物作为代谢物的鉴定表明，α，

  DOI：

  10.1016/s0031-9422(00)98527-3

文献信息

• Fungicidal Composition
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1609360A1

  公开（公告）日：2005-12-28

  A fungicidal composition comprising: an amide compound represented by formula (1) and dimethomorph as active ingredients, and a method for controlling plant diseases applying effective amount of an amide compound represented by formula (1) and dimethomorph to plant(s) or soil where plant(s) are growing.

  一种包含以下成分的杀真菌组合物：以式（1）表示的酰胺化合物和二甲基吗啉作为活性成分，以及一种控制植物病害的方法，将以式（1）表示的酰胺化合物和二甲基吗啉的有效量施用于植物或植物生长的土壤。
• Amides and method for plant diseases control with the same
  申请人：Sakaguchi Hiroshi

  公开号：US20060122064A1

  公开（公告）日：2006-06-08

  N-(α-cyanobenzyl)amide compounds represented by the formula (1): wherein R 1 represents a hydrogen atom; a halogen atom; a C1-C6 alkyl group optionally substituted with a halogen atom or the like; or the like, R 2 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group or the like, R 3 represents a hydrogen atom or the like, R 4 represents a C1-C4 alkyl group, a C3-C4 alkenyl group or the like, R 5 represents a C1-C4 alkyl group, a C3-C4 alkenyl group, or the like, R 6 represents a hydrogen atom or the like, R 7 represents a hydrogen atom or the like, R 8 represents a hydrogen atom or the like, R 9 represents a hydrogen atom or the like, R 10 represents a hydrogen atom or the like, R 11 represents a hydrogen atom or the like, and R 12 represents a hydrogen atom or the like, have excellent control activities against plant diseases.

  化合物N-(α-氰基苯甲基)酰胺，其化学式为(1)，其中R1代表氢原子；卤素原子；C1-C6烷基，可选择性地被卤素原子或类似物取代；或类似物，R2代表氢原子，卤素原子，C1-C6烷基或类似物，R3代表氢原子或类似物，R4代表C1-C4烷基，C3-C4烯基或类似物，R5代表C1-C4烷基，C3-C4烯基或类似物，R6代表氢原子或类似物，R7代表氢原子或类似物，R8代表氢原子或类似物，R9代表氢原子或类似物，R10代表氢原子或类似物，R11代表氢原子或类似物，R12代表氢原子或类似物，具有优异的植物病害控制活性。
• Fungicidal composition
  申请人：Soma Masato

  公开号：US20050282888A1

  公开（公告）日：2005-12-22

  A fungicidal composition comprising: an amide compound represented by formula (1) and dimethomorph as active ingredients, and a method for controlling plant diseases applying effective amount of an amide compound represented by formula (1) and dimethomorph to plant(s) or soil where plant(s) are growing.

  一种杀菌组合物，包括：由式（1）表示的酰胺化合物和二甲菌酯作为活性成分，并且应用由式（1）表示的酰胺化合物和二甲菌酯的有效量控制植物病害的方法，将其施用于植物或植物生长的土壤中。
• AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1640360A1

  公开（公告）日：2006-03-29

  N-(α-cyanobenzyl)amide compounds represented by the formula (1): wherein R1 represents a hydrogen atom; a halogen atom; a C1-C6 alkyl group optionally substituted with a halogen atom or the like; or the like, R2 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group or the like, R3 represents a hydrogen atom or the like, R4 represents a C1-C4 alkyl group, a C3-C4 alkenyl group or the like, R5 represents a C1-C4 alkyl group, a C3-C4 alkenyl group, or the like, R6 represents a hydrogen atom or the like, R7 represents a hydrogen atom or the like, R8 represents a hydrogen atom or the like, R9 represents a hydrogen atom or the like, R10 represents a hydrogen atom or the like, R11 represents a hydrogen atom or the like, and R12 represents a hydrogen atom or the like, have excellent control activities against plant diseases.

  式 (1) 所代表的 N-(α-氰基苄基)酰胺化合物： 其中 R1 代表氢原子；卤素原子；任选被卤素原子或类似物取代的 C1-C6 烷基；或类似物； R2 代表氢原子、卤素原子、C1-C6 烷基或类似物； R3 代表氢原子或类似物； R4 代表 C1-C4 烷基、C3-C4 烯基或类似物； R5 代表 C1-C4 烷基、C3-C4 烯基或类似物； R6 代表氢原子或类似物、R7 代表氢原子或类似物，R8 代表氢原子或类似物，R9 代表氢原子或类似物，R10 代表氢原子或类似物，R11 代表氢原子或类似物，R12 代表氢原子或类似物。
• Methods and reagents for the treatment of metabolic disorders
  申请人：Lee S. Margaret

  公开号：US20060069161A1

  公开（公告）日：2006-03-30

  The invention features compositions, methods, and kits for the treatment of metabolic disorders such as diabetes and obesity.

  本发明的特点是用于治疗糖尿病和肥胖症等代谢性疾病的组合物、方法和试剂盒。