制备方法

由乙醛在碱或阴离子交换树脂催化作用下液相缩合生成丁醇醛，丁醇醛再在稀酸中加热缩合脱水制得。每吨巴豆醛消耗乙醛1405kg；氢氧化钠4.7kg；醛酸4kg。

合成制备方法

由乙醛在碱或阴离子交换树脂催化作用下液相缩合生成丁醇醛，丁醇醛再在稀酸中加热缩合脱水制得。每吨巴豆醛消耗乙醛1405kg；氢氧化钠4.7kg；醛酸4kg。

用途简介

用于制正丁醇、正丁醛、硫化促进剂。

用途

有机合成原料，用于制取丁醛；丁醇；2-乙基己醇；山梨酸；3-甲氧基丁醛；3-甲氧基丁醇；丁烯酸；喹哪啶；顺丁烯二酸酐及吡啶系产品。另外，丁烯醛与丁二烯反应可制得环氧树脂原料及环氧增塑剂。与季戊成四醇反应可得到耐热树脂原料。丁烯醛还可用于制取选矿用发泡剂；染料及橡胶抗氧剂；杀虫剂及军用化学品。工业级丁烯醛实际上是反式异构体和顺式异构体组成的混合物[4170-30-3]。但顺式异构体不稳定，含量不到1%。

包装等级：

I

风险类别：

6.1

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R11;R24/25;R26;R37/38;R41;R48/22;R50;R68

安全说明：

S26-S28-S36/37/39-S45-S61-S28A

RTECS号：

GP9625000

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。
S28:接触皮肤之后，立即使用大量皂液洗涤。
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）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

F:Flammable;T+:Verytoxic;N:Dangerousfortheenvironment;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GP9625000

CHEMICAL NAME :

Crotonaldehyde, (E)-

CAS REGISTRY NUMBER :

123-73-9

LAST UPDATED :

199707

DATA ITEMS CITED :

30

MOLECULAR FORMULA :

C4-H6-O

MOLECULAR WEIGHT :

70.10

WISWESSER LINE NOTATION :

VH1U2 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Human

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

12 mg/m3/10M

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4000 mg/m3/30M

TOXIC EFFECTS :

Behavioral - excitement Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

140 mg/kg

TOXIC EFFECTS :

Behavioral - excitement Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

240 mg/kg

TOXIC EFFECTS :

Tumorigenic - active as anti-cancer agent

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1510 mg/m3/2H

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Behavioral - ataxia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

160 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

160 mg/kg

TOXIC EFFECTS :

Behavioral - excitement Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

568 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

380 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1331 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

Sperm Morphology

MUTATION DATA

TYPE OF TEST :

DNA damage

TEST SYSTEM :

Mammal - species unspecified Lymphocyte

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 283,131,1992 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 2 ppm (6 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 2 ppm (6 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 2 ppm (6 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 2 ppm (6 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 2 ppm (6 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 2 ppm (6 mg/m3) JAN 1993 OEL-GERMANY;Skin;Carcinogen JAN 1993 OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 2 ppm (6 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 2 ppm (6 mg/m3);STEL 6 ppm (18 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO CROTONALDEHYDE-air:10H TWA 2 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

毒理学数据：

小鼠LC501.51mg/L。操作时应戴好口罩、手套等防护用品。空气中最高容许浓度0.5mg/m3。

分子结构数据

五、分子性质数据：

1、   摩尔折射率：20.82

2、   摩尔体积（cm³/mol）：85.4

3、   等张比容（90.2K）：187.3

4、   表面张力（dyne/cm）：23.0

5、   极化率（10^-24cm³）：8.25

计算化学数据

1、   疏水参数计算参考值（XlogP）：0.5

2、   氢键供体数量：0

3、   氢键受体数量：1

4、   可旋转化学键数量：1

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：17.1

7、   重原子数量：5

8、   表面电荷：0

9、   复杂度：45.6

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