巴豆酸,3724-65-0，生产厂家，价格-洛克化工网移动版

巴豆酸

中文名称：: 巴豆酸

中文别名：: 巴豆酸;
巴豆油酸;
2-丁烯酸

英文名称：: 2-Butenoic acid

英文别名：: 2-butenoic acid;
But-2-enoic acid;
Crotonic acid

CAS No.：: 3724-65-0

分子式：: C₄H₆O₂

分子量：: 86.09

精确分子量：: 86.03680

PSA：: 37.30000

EINECS：: 203-533-9

BRN：: 1098434

InChI：: InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+3

危险品标志：: C

风险术语：: R21/22;R34;

安全术语：: S26;S36/37/39;S45;

分子结构式：

SDS：: 查看

巴豆酸制备方法及用途

制备方法

1.以巴豆醛为原料，在催化剂乙酸铜-乙酸钴的混合物存在下经空气或氧气氧化即可制得。2.此外，由木材干馏可得小量丁烯酸，实验中由乙醛与丙二酸缩合也可制备。3. 从水和石油醚中得单斜针晶。4. 烟草：OR，44；OR，49；OR，26；FC，9， 18；FC，BU，OR，40。

合成制备方法

1.以巴豆醛为原料，在催化剂乙酸铜-乙酸钴的混合物存在下经空气或氧气氧化即可制得。

2.此外，由木材干馏可得小量丁烯酸，实验中由乙醛与丙二酸缩合也可制备。

3. 从水和石油醚中得单斜针晶。

4. 烟草：OR，44；OR，49；OR，26；FC，9， 18；FC，BU，OR，40。

用途简介

不饱和脂肪酸，主要用于制备各种树脂、杀菌剂、表面涂料、杀菌剂、增塑剂；作为重要的医药中间体、农药中间体等有机化工中间体。

用途

1. 主要用于合成树脂、杀菌剂、涂料、增塑剂和药物。其最主要的用途是作聚醋酸乙烯涂料的原料。另外，醋酸乙烯-丁烯酸共聚物可用作装订书籍的热熔胶黏剂，也可用作壁纸的涂料和纸张、层压板的胶黏剂。

2. 药物化学上用来生产DL-苏氨酸、维生素A。

巴豆酸物化性质

外观与性状：: 一种白色结晶固体，可以作为固体或液体运送
密度：: 1.027 g/mL at 25 °C(lit.)
熔点：: 70-72 °C(lit.)
沸点：: 180-181 °C(lit.)
闪点：: 190 °F
水溶解性：: soluble
折射率：: 1.4455 (20ºC)
蒸汽密度：: 2.97 (vs air)
存储条件/存储方法：: 库房通风低温干燥,与氧化剂、碱分开存放
稳定性相关：: 1. 常温常压下稳定，单斜针状或棱状结晶。
2. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶、烟气中。
其它信息：: 1.性状：单斜针状或棱状结晶
2.熔点（ºC）：71.5
3.沸点（ºC）：180~181
4.相对密度（20℃，4℃）：1.027
5.常温折射率（n²⁵）：1.4249⁷⁷
6.液相标准燃烧热(焓)(kJ·mol^-1)：-2000.8
7.液相标准声称热(焓)( kJ·mol^-1)：-430.5
8.气相标准燃烧热(焓)(kJ·mol^-1)：-2053.3
9.气相标准声称热(焓)( kJ·mol^-1) ：-378
10.气相标准熵(J·mol^-1·K^-1) ：339.8
11.气相标准生成自由能( kJ·mol^-1)：-294
12.气相标准热熔(J·mol^-1·K^-1)：108.3
13. 闪点（ºC）：88
14. 溶解性：溶于水、乙醇、丙酮等。

巴豆酸安全信息

包装等级：: III
海关代码：: 2916190090
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R21/22;R34
安全说明：: S26-S36/37/39-S45
RTECS号：: GQ2900000
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：: C:Corrosive;

巴豆酸毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GQ2800000

CHEMICAL NAME :: Crotonic acid

CAS REGISTRY NUMBER :: 3724-65-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C4-H6-O2

MOLECULAR WEIGHT :: 86.10

WISWESSER LINE NOTATION :: QV1U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4800 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4953,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3590 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,309,1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4953,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84287 No. of Facilities: 234 (estimated) No. of Industries: 7 No. of Occupations: 9 No. of Employees: 2460 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84287 No. of Facilities: 303 (estimated) No. of Industries: 6 No. of Occupations: 7 No. of Employees: 5343 (estimated) No. of Female Employees: 209 (estimated)

毒理学数据：

急性数据：大鼠经口LD50：1 gm/kg；

小鼠经口LD50：4800mg/kg；

小鼠腹腔LD50：25 mg/kg；

豚鼠经皮LD50：200 mg/kg；

兔子经皮LD50：600 mg/kg；

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

巴豆酸 MSDS

Section 1. Chemical Product and Company Identification
    Crotonic acid
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Crotonic acid

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water
    for at least 15 minutes. Cold water may be used. Get medical attention immediately.
    Skin Contact        In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing
    contaminated clothing and shoes. Cover the irritated skin with an emollient. Cold water may be used.Wash
    clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek
    immediate medical attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
    Get medical attention.
    Serious Inhalation        Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or
    waistband. If breathing is difficult, administer oxygen. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. WARNING: It may be hazardous to the person providing aid to give mouth-to-mouth
    resuscitation when the inhaled material is toxic, infectious or corrosive. Seek immediate medical attention.
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to
    an unconscious person. If large quantities of this material are swallowed, call a physician immediately.
    Loosen tight clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.

Section 5. Fire and Explosion Data
    Flammability of the Product Combustible.
    Auto-Ignition Temperature 396°C (744.8°F)
    OPEN CUP: 88°C (190.4°F).
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Flammable in presence of open flames and sparks, of heat.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    When heated to decomposition it emits acrid smoke and irritating fumes, carbon dioxide, carbon monoxide.
    Special Remarks on
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Dilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste
    disposal container.
    Large Spill        Combustible material. Corrosive liquid.
    Keep away from heat. Keep away from sources of ignition. Stop leak if without risk. Absorb with DRY
    earth, sand or other non-combustible material. Do not get water inside container. Do not touch spilled
    material. Use water spray curtain to divert vapor drift. Prevent entry into sewers, basements or confined
    Crotonic acid

Section 7. Handling and Storage
    Precautions        Keep container dry. Keep away from heat. Keep away from sources of ignition. Ground all equipment
    containing material. Do not ingest. Do not breathe gas/fumes/ vapor/spray. Never add water to this
    product. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical
    advice immediately and show the container or the label. Avoid contact with skin and eyes. Keep away from
    incompatibles such as oxidizing agents.
    Storage        Keep container in a cool, well-ventilated area. Keep container tightly closed and sealed until ready for use.
    Avoid all possible sources of ignition (spark or flame).

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors
    below their respective threshold limit value. Ensure that eyewash stations and safety showers are proximal
    to the work-station location.
    Personal Protection        Face shield. Full suit. Vapor respirator. Be sure to use an approved/certified respirator or equivalent.
    Gloves. Boots. Respiratory protection is not necessary for normal handling. Good room ventilation or use
    of local exhaust (fume hood) is sufficient. Use a vapor respirator under conditions where exposure to the
    substance is apparent (e.g. generation of high concentrations of mist or vapor or dust, inadequate
    ventilation, development of respiratory tract irritation), and engineering controls are not feasible. Be sure to
    use an approved/certified respirator or equivalent.
    Personal Protection in Case of Splash goggles. Full suit. Vapor respirator. Boots. Gloves. A self contained breathing apparatus should
    a Large Spill        be used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a
    specialist BEFORE handling this product.
    Exposure Limits        Not available.

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Not available.
    Odor
    Taste        Not available.
    Molecular Weight        86.09 g/mole
    Color        Not available.
    pH (1% soln/water)        Not available.
    185°C (365°F)
    Boiling Point
    Melting Point        72°C (161.6°F)
    Critical Temperature        Not available.
    Specific Gravity        0.9604 - 1.03 (Water = 1)
    Vapor Pressure        0 kPa (@ 20°C)
    2.97 (Air = 1)
    Vapor Density
    Volatility        Not available.
    Not available.
    Odor Threshold
    Water/Oil Dist. Coeff.        Not available.
    Ionicity (in Water)        Not available.
    Dispersion Properties        See solubility in water, diethyl ether, acetone.
    Solubility        Easily soluble in hot water.
    Soluble in cold water, diethyl ether, acetone.
    SOLUBLE IN HOT PETROLEUM ETHER
    IN ETHANOL @ 25 DEG C: 52.5% WT/WT; ACETONE @ 25 DEG C: 53.0% W/W; IN TOLUENE @ 25
    DEG C: 37.5% WT/WT
    Water solubility: 8.6X10+4 mg/l at 25 deg C
    555 g/l in water at 20 deg C
    Crotonic acid

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.
    Heat, ignition sources, incompatible materials
    Conditions of Instability
    Incompatibility with various Reactive with oxidizing agents.
    substances
    Non-corrosive in presence of glass.
    Corrosivity
    Special Remarks on        Not available.
    Reactivity
    Special Remarks on        Not available.
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.
    Toxicity to Animals        Acute oral toxicity (LD50): 1000 mg/kg [Rat].
    Acute dermal toxicity (LD50): 200 mg/kg [Guinea pig].
    Chronic Effects on Humans May cause damage to the following organs: lungs.
    Other Toxic Effects on        Very hazardous in case of skin contact (irritant), of ingestion.
    Humans        Hazardous in case of skin contact (corrosive), of eye contact (corrosive), of inhalation.
    Special Remarks on        Not available.
    Toxicity to Animals
    Special Remarks on        Not available.
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:
    Toxic Effects on Humans        Skin: Corrosive. Causes severe irritation and burns.
    Eyes: Corrosive. Causes severe irritation and burns.
    Inhalation: Breathing in Crotonic Acid can irritate the nose and throat causing coughing and wheezing. It
    may cause burns to the respiratory tract.
    Ingestion: May be harmful if swallowed. Can cause digestive tract/gastrointestinal tract burns.
    Chronic Potential Health Effects:
    Inhalation: It can irritate the lungs. Repeated exposure may cause bronchitis to develop with cough,
    phlegm, and/or shortness of breath.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    BOD5 and COD        Not available.
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation
    products may arise.
    Toxicity of the Products        The products of degradation are less toxic than the product itself.
    of Biodegradation
    Special Remarks on the        Not available.
    Products of Biodegradation
    Crotonic acid

Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

Section 14. Transport Information
    DOT Classification        Class 8: Corrosive material
    UNNA: 2823 : Crotonic Acid, solid PG: III
    Identification
    Not available.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    Pennsylvania RTK: Crotonic acid
    Federal and State
    Massachusetts RTK: Crotonic acid
    Regulations
    New Jersey: Crotonic acid
    TSCA 8(b) inventory: Crotonic acid
    California        California prop. 65: This product contains the following ingredients for which the State of California has
    Proposition 65        found to cause cancer which would require a warning under the statute: No products were found.
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has
    found to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS
    No. 223-077-4).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    China: Listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Listed on National Inventory (KECI).
    Philippines: Listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) CLASS E: Corrosive liquid.
    Other Classifications
    DSCL (EEC)        R34- Causes burns.        S26- In case of contact with eyes, rinse
    immediately with plenty of water and seek
    medical advice.
    S36/37/39- Wear suitable protective clothing,
    gloves and eye/face protection.
    S45- In case of accident or if you feel unwell,
    seek medical advice immediately (show the
    label where possible).
    Health Hazard
    HMIS (U.S.A.)        3 National Fire Protection
    2 Flammability
    2 Association (U.S.A.)
    Fire Hazard
    3 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    WHMIS (Canada)
    (Pictograms)
    Crotonic acid
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Full suit.
    Vapor respirator. Be sure to use an
    approved/certified respirator or
    equivalent. Wear appropriate respirator
    when ventilation is inadequate.

SECTION 16 - ADDITIONAL INFORMATION
N/A

巴豆酸海关数据

中国海关编码：2916190090

概述：: 2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素：: 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件：: A.入境货物通关单B.出境货物通关单
检验检疫：: R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary：: 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

巴豆酸分子结构与计算化学数据

计算化学数据

1、疏水参数计算参考值（XlogP）：0.7

2、氢键供体数量：1

3、氢键受体数量：2

4、可旋转化学键数量：1

5、互变异构体数量：未确定

6、拓扑分子极性表面积（TPSA）：37.3

7、重原子数量：6

8、表面电荷：0

9、复杂度：73.6

10、同位素原子数量：0

11、确定原子立构中心数量：0

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：1

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

巴豆酸上游产品

巴豆醇丙烯醇巴豆腈 2,3-二溴丁酸

巴豆酸下游产品

2,3-二溴丁酸 1-phenylethenyl but-2-enoate (Z)-styryl but-2-enoate (E)-styryl but-2-enoate

巴豆酸

巴豆酸制备方法及用途

制备方法

合成制备方法

用途简介

用途

巴豆酸物化性质

巴豆酸安全信息

巴豆酸毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

巴豆酸 MSDS

巴豆酸海关数据

中国海关编码：2916190090

巴豆酸分子结构与计算化学数据

计算化学数据

巴豆酸上游产品

巴豆酸下游产品

巴豆酸表征图谱

推荐供应商

武汉吉鑫益邦生物科技有限公司

巴豆酸

巴豆酸

巴豆酸 制备方法及用途

制备方法

合成制备方法

用途简介

用途

巴豆酸 物化性质

巴豆酸 安全信息

巴豆酸 毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

巴豆酸 MSDS

巴豆酸 海关数据

中国海关编码：2916190090

巴豆酸 分子结构与计算化学数据

计算化学数据

巴豆酸 上游产品

巴豆酸 下游产品

巴豆酸 表征图谱

推荐供应商

武汉吉鑫益邦生物科技有限公司

巴豆酸

巴豆酸制备方法及用途

巴豆酸物化性质

巴豆酸安全信息

巴豆酸毒理性

巴豆酸海关数据

巴豆酸分子结构与计算化学数据

巴豆酸上游产品

巴豆酸下游产品

巴豆酸表征图谱