2,4-滴丁酸甲酯 | 18625-12-2

• 物质功能分类: 分析化学 - 标准品 - 农残、兽药及化肥类
• 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: 2,4-滴丁酸甲酯
• 中文别名: 4-(2,4-二氯苯氧基）丁酸甲酯；4-(2,4-二氯苯氧基)丁酸甲酯
• 英文名称: 4-(2,4-dichlorophenoxy)butyric acid methyl ester
• 英文别名: methyl 2,4-dichlorophenoxybutanoate；methyl 2,4-dichlorophenoxybutyrate；4-(2,4-Dichlor-phenoxy)-buttersaeure-methylester；Methyl 4-(2,4-dichlorophenoxy)butanoate
• CAS: 18625-12-2
• 化学式: C₁₁H₁₂Cl₂O₃
• mdl: MFCD00142813
• 分子量: 263.12
• InChiKey: NKXSNMCGZZWMMW-UHFFFAOYSA-N

物化性质

• 沸点：
  353.9±32.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)
• 闪点：
  -26 °C
• 保留指数：
  1799;1799;1794

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  Xn,F,Xi,N
• 安全说明：
  S26,S29,S36/37,S46,S60,S61,S62
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2918990090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 2588
• 储存条件：
  0-6°C

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,4-DB methyl ester solution
: Supelco
Index-No. : 601-037-00-0

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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]
Flammable liquids (Category 2)
Skin irritation (Category 2)
Reproductive toxicity (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Specific target organ toxicity - repeated exposure (Category 2)
Aspiration hazard (Category 1)
Chronic aquatic toxicity (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Highly flammable. Possible risk of impaired fertility. Harmful: danger of serious damage to health by
prolonged exposure through inhalation. Harmful: may cause lung damage if swallowed. Irritating to skin.
Vapours may cause drowsiness and dizziness. Toxic to aquatic organisms, may cause long-term adverse
effects in the aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Highly flammable liquid and vapour.
May be fatal if swallowed and enters airways.
Causes skin irritation.
May cause drowsiness or dizziness.
H361f Suspected of damaging fertility.
May cause damage to organs through prolonged or repeated exposure.
Toxic to aquatic life with long lasting effects.
Precautionary statement(s)
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
Avoid release to the environment.
Use personal protective equipment as required.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Do NOT induce vomiting.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R11 Highly flammable.
R38 Irritating to skin.
R48/20 Harmful: danger of serious damage to health by prolonged exposure
through inhalation.
R62 Possible risk of impaired fertility.
R65 Harmful: may cause lung damage if swallowed.
R67 Vapours may cause drowsiness and dizziness.
R51/53 Toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
S-phrase(s)
S9 Keep container in a well-ventilated place.
S16 Keep away from sources of ignition - No smoking.
S29 Do not empty into drains.
S33 Take precautionary measures against static discharges.
S36/37 Wear suitable protective clothing and gloves.
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
S62 If swallowed, do not induce vomiting: seek medical advice immediately
and show this container or label.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Mixtures
Synonyms : Methyl 4-(2,4-dichlorophenoxy)butyratesolution
Component Classification Concentration
n-Hexane
CAS-No. 110-54-3 Flam. Liq. 2; Skin Irrit. 2; Repr. -
EC-No. 203-777-6 2; STOT SE 3; STOT RE 2;
Index-No. 601-037-00-0 Asp. Tox. 1; Aquatic Chronic
2; H225, H304, H315, H336,
H361f, H373, H411
F, Xn, N, Repr.Cat.3, R11 -
R38 - R48/20 - R62 - R65 -
R67 - R51/53
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
Prolonged or repeated contact with skin may cause:, defatting, Dermatitis, Contact with eyes can cause:,
Redness, Blurred vision, Provokes tears., Effects due to ingestion may include:, Gastrointestinal
discomfort, Central nervous system depression, Lung irritation, chest pain, pulmonary edema
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
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. Evacuate personnel to safe areas. 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).
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.
Recommended storage temperature: 2 - 8 °C
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, 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 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 68 - 70 °C at 1.013 hPa
boiling range
g) Flash point -26 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower Upper explosion limit: 7,7 %(V)
flammability or Lower explosion limit: 1,2 %(V)
explosive limits
k) Vapour pressure 176 hPa at 20 °C
l) Vapour density no data available
m) Relative density 0,660 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 234 °C
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
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 Harmful if inhaled. Causes respiratory tract irritation. Vapours may cause
drowsiness and dizziness.
Ingestion Harmful if swallowed. Aspiration hazard if swallowed - can enter lungs and
cause damage.
Skin Harmful if absorbed through skin. Causes skin irritation.
Eyes
Causes eye irritation.
Signs and Symptoms of Exposure
Prolonged or repeated contact with skin may cause:, defatting, Dermatitis, Contact with eyes can cause:,
Redness, Blurred vision, Provokes tears., Effects due to ingestion may include:, Gastrointestinal
discomfort, Central nervous system depression, Lung irritation, chest pain, pulmonary edema
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.

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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: 1208 IMDG: 1208 IATA: 1208
UN proper shipping name
ADR/RID: HEXANES, SOLUTION
IMDG: HEXANES, SOLUTION
IATA: Hexanes, SOLUTION
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: yes IMDG Marine Pollutant: yes 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：

  2,4-滴丁酸甲酯 在 ammonium hydroxide 作用下， 以98.74%的产率得到ammonium 2,4-dichlorophenoxybutanoate
  参考文献：
  名称：

  一种氯代苯氧羧酸胺盐的制备方法

  摘要：

  本发明提供了一种氯代苯氧羧酸胺盐的制备方法，包括以下步骤：S1)苯氧羧酸酯在催化剂A和催化剂B的作用下，和氯化剂进行2位和/或4位的选择性氯化反应，得到氯代苯氧羧酸酯；所述催化剂A为路易斯酸；所述催化剂B具有以下结构式：R1＇‑S‑R2＇；S2)氯代苯氧羧酸酯和胺进行氨解反应，得到氯代苯氧羧酸胺盐。本发明通过对工艺路线的重新设计，对催化剂和氯化剂的精细筛选，降低了能耗，提高了氯化选择性，避免了有效成分的损失，所得氯代苯氧羧酸胺盐的收率可达98.5％以上。同时杜绝了高盐废水的产出，避免了氯代苯氧羧酸烘干及使用造成的粉尘危害，节约了能源，降低了设备投入。

  公开号：

  CN108947806A
• 作为产物：
  描述：

  甲基4-苯氧基丁烷酸酯 在 iron(III) chloride 、 抗氧剂300 、 磺酰氯 作用下， 反应 0.5h， 以99.19%的产率得到2,4-滴丁酸甲酯
  参考文献：
  名称：

  一种氯代苯氧羧酸酯的制备方法

  摘要：

  本发明提供了一种氯代苯氧羧酸酯的制备方法，包括以下步骤：苯氧羧酸酯在催化剂A和催化剂B的作用下，和氯化剂进行2位和/或4位的选择性氯化反应，得到氯代苯氧羧酸酯；所述催化剂A为路易斯酸；所述催化剂B具有以下结构式：R1＇‑S‑R2＇。本发明通过对工艺路线的重新设计，对催化剂和氯化剂的精细筛选，有效地提高了氯化选择性同时避免了有效成分的损失，所得氯代苯氧羧酸酯的含量可达98.5％以上，收率可达99％以上。

  公开号：

  CN108947820A

文献信息

• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100305068A1

  公开（公告）日：2010-12-02

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for producing a protein and identifying compounds that rescue protein trafficking defects.
• [EN] PREPARATION METHOD FOR CHLOROPHENOXYCARBOXYLATE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE CHLOROPHÉNOXY-CARBOXYLATE<br/>[ZH] 一种氯代苯氧羧酸酯的制备方法
  申请人：SHANDONG RAINBOW BIOTECH CO LTD

  公开号：WO2019179288A2

  公开（公告）日：2019-09-26
• 一种氯代苯氧羧酸酯的制备方法
  申请人：山东润博生物科技有限公司

  公开号：CN108947821A

  公开（公告）日：2018-12-07

  本发明提供一种氯代苯氧羧酸酯的制备方法，包括以下步骤：S1)苯氧羧酸酯在催化剂A和催化剂B的作用下，和氯化剂进行2位和/或4位的选择性氯化反应，得到氯代苯氧羧酸酯；所述催化剂A为路易斯酸；所述催化剂B具有以下结构式：R1＇‑S‑R2＇；所述苯氧羧酸酯具有式Ⅰ～式Ⅳ任一结构；S2)氯代苯氧羧酸酯和醇在催化剂的作用下进行酯交换反应，得到长链氯代苯氧羧酸酯；所述醇的分子式为R2OH，所述R2为C4～20的烷基或环烷基。本发明通过对工艺路线的重新设计，对催化剂和氯化剂的精细筛选，提高了氯代苯氧羧酸酯的收率和纯度，所得氯代苯氧羧酸酯的含量可达98.5％以上，收率可达98.5％以上。
• 一种氯代苯氧羧酸胺盐的制备方法
  申请人：山东润博生物科技有限公司

  公开号：CN108947807A

  公开（公告）日：2018-12-07

  本发明提供了一种氯代苯氧羧酸胺盐的制备方法，包括以下步骤：S1)苯氧羧酸酯在催化剂A和催化剂B的作用下，和氯化剂进行2位和/或4位的选择性氯化反应，得到氯代苯氧羧酸酯；所述催化剂A为路易斯酸；所述催化剂B为C5～22的噻唑、异噻唑、噻吩或它们的卤代衍生物；S2)氯代苯氧羧酸酯和胺进行氨解反应，得到氯代苯氧羧酸胺盐。本发明通过对工艺路线的重新设计，对催化剂和氯化剂的精细筛选，降低了能耗，提高了氯化选择性，避免了有效成分的损失，所得氯代苯氧羧酸胺盐的收率可达99％以上。同时杜绝了高盐废水的产出，避免了氯代苯氧羧酸烘干及使用造成的粉尘危害，节约了能源，降低了设备投入。

表征谱图