2-Butenoic acid

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。

安全信息

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。

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。

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 ContactCheck 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 ContactIn 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 ContactWash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek
immediate medical attention.
InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Get medical attention.
Serious InhalationEvacuate 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.
IngestionDo 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 IngestionNot 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 MediaSMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE 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 SpillDilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste
disposal container.
Large SpillCombustible 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 pert vapor drift. Prevent entry into sewers, basements or confined
Crotonic acid
Section 7. Handling and Storage
PrecautionsKeep 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.
StorageKeep 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 ControlsProvide 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 ProtectionFace 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 Spillbe used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a
specialist BEFORE handling this product.
Exposure LimitsNot available.
Section 9. Physical and Chemical Properties
Physical state and appearance Liquid.Not available.
Odor
TasteNot available.
Molecular Weight86.09 g/mole
ColorNot available.
pH (1% soln/water)Not available.
185°C (365°F)
Boiling Point
Melting Point72°C (161.6°F)
Critical TemperatureNot available.
Specific Gravity0.9604 - 1.03 (Water = 1)
Vapor Pressure0 kPa (@ 20°C)
2.97 (Air = 1)
Vapor Density
VolatilityNot available.
Not available.
Odor Threshold
Water/Oil Dist. Coeff.Not available.
Ionicity (in Water)Not available.
Dispersion PropertiesSee solubility in water, diethyl ether, acetone.
SolubilityEasily 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 TemperatureNot 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 onNot available.
Reactivity
Special Remarks onNot available.
Corrosivity
Will not occur.
Polymerization
Section 11. Toxicological Information
Routes of EntryInhalation. Ingestion.
Toxicity to AnimalsAcute 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 onVery hazardous in case of skin contact (irritant), of ingestion.
HumansHazardous in case of skin contact (corrosive), of eye contact (corrosive), of inhalation.
Special Remarks onNot available.
Toxicity to Animals
Special Remarks onNot available.
Chronic Effects on Humans
Special Remarks on otherAcute Potential Health Effects:
Toxic Effects on HumansSkin: 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 CODNot available.
Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation
products may arise.
Toxicity of the ProductsThe products of degradation are less toxic than the product itself.
of Biodegradation
Special Remarks on theNot available.
Products of Biodegradation
Crotonic acid
Section 13. Disposal Considerations
Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental
control regulations.
Section 14. Transport Information
DOT ClassificationClass 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
CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has
Proposition 65found 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 RegulationsOSHA: 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

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%

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