制备方法

1.采用乙炔甲醛合成法　含80%-90%的乙炔经压缩至0.4-0.5MPa的压力，预热至70-80℃，送至反应器，以丁炔酮为催化剂，和甲醛于110-112℃反应，得粗品。反应产物经浓缩、精制得成品，同时副产丙炔醇。 2.多聚甲醛常压溶剂法：以多聚甲醛为原料，以环乙酮等作溶剂，在催化剂乙炔铜存在下，向反应器中通入乙炔，保持温度115-120℃，待甲醛完全后转化后停止通乙炔，滤出催化剂，反应液经浓缩再结晶，可得结晶状丁炔二醇。

合成制备方法

1.采用乙炔甲醛合成法　含80%-90%的乙炔经压缩至0.4-0.5MPa的压力，预热至70-80℃，送至反应器，以丁炔酮为催化剂，和甲醛于110-112℃反应，得粗品。反应产物经浓缩、精制得成品，同时副产丙炔醇。

2.多聚甲醛常压溶剂法：以多聚甲醛为原料，以环乙酮等作溶剂，在催化剂乙炔铜存在下，向反应器中通入乙炔，保持温度115-120℃，待甲醛完全后转化后停止通乙炔，滤出催化剂，反应液经浓缩再结晶，可得结晶状丁炔二醇。

用途简介

初级镀镍光亮剂，用于有机原料、溶剂、无氰电镀液，还用于人造革、医药和农药工业。

用途

1.丁炔二醇可以制造丁烯二醇、丁二醇、正丁醇、二氢呋喃、四氢呋喃、γ-丁内酯、吡咯烷酮等一系列重要的有机产品，进一步可以制造合成塑料、合成纤维（尼龙-4）、人造革、医药、农药、溶剂（N-甲基吡咯烷酮）和防腐剂。丁炔二醇本身是良好的溶剂，在电镀工业中作光亮剂。

2.用作电镀镍的次级光亮剂。与初级光亮剂配合可以获得全光亮、整平性和延展性良好的镀层。

3.用于有机合成，用作电镀光亮剂。^[19]

包装等级：

III

风险类别：

6.1

海关代码：

2905399090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R21;R23/25;R34;R43;R48/22

安全说明：

S25-S26-S36/37/39-S45-S46

RTECS号：

ES0525000

安全标志：

S25:避免接触眼睛。
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）。
S46:万一发生不慎吞咽，立刻寻求医生的建议（展示产品容器或者标签）。
:

危险标志：

T:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ES0525000

CHEMICAL NAME :

2-Butyne-1,4-diol

CAS REGISTRY NUMBER :

110-65-6

BEILSTEIN REFERENCE NO. :

1071237

LAST UPDATED :

199712

DATA ITEMS CITED :

19

MOLECULAR FORMULA :

C4-H6-O2

MOLECULAR WEIGHT :

86.10

WISWESSER LINE NOTATION :

Q2UU2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

105 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Blood - other changes

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

150 mg/m3/2H

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Blood - hemorrhage

REFERENCE :

TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,13,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

52435 ug/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: 26,597,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

105 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Blood - other changes

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

150 mg/m3/2H

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Blood - hemorrhage

REFERENCE :

TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,13,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

150 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Blood - other changes

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

130 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Blood - other changes

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - wild bird species

DOSE/DURATION :

75 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1400 mg/kg/28D-I

TOXIC EFFECTS :

Liver - changes in liver weight Blood - changes in leukocyte (WBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

REFERENCE :

JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 12,117,1992

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

364 mg/kg/26W-I

TOXIC EFFECTS :

Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Metabolism (Intermediary) - other carbohydrates

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 33(1),37,1968

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1400 mg/kg/14D-I

TOXIC EFFECTS :

Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 43,87,1989

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

8 mg/m3/4H/26W-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Vascular - BP lowering not characterized in autonomic section Liver - liver function tests impaired

REFERENCE :

TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,13,1965

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

90 mg/m3/2H/30D-I

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes Blood - hemorrhage Related to Chronic Data - death

REFERENCE :

TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,13,1965 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2524 No. of Facilities: 307 (estimated) No. of Industries: 7 No. of Occupations: 11 No. of Employees: 2173 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2524 No. of Facilities: 1139 (estimated) No. of Industries: 21 No. of Occupations: 20 No. of Employees: 16527 (estimated) No. of Female Employees: 4755 (estimated)

毒理学数据：

1、急性毒性：豚鼠经口LD50：130mg/kg；大鼠经口LD50：105mg/kg

                         小鼠经口LD50：105mg/kg；兔子经口LD50：150mg/kg

                         小鼠吸入LCLo：150mg/m3/2H；大鼠吸入LCLo：150mg/m3/2H

2.急性毒性^[12]  LD50：125mg/kg（大鼠经口）

3.刺激性   暂无资料

生态数据：

1.生态毒性^[13]  LC50：49.3~58.3mg/L（96h）（黑头呆鱼）

2.生物降解性  暂无资料

3.非生物降解性  暂无资料

中国海关编码：2905399090

概述：

2905399090 其他二元醇。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:5.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 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：

2905399090 other diols。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:5.5%。general tariff:30.0%

分子结构数据

1、摩尔折射率：21.65

2、摩尔体积（cm³/mol）：72.8

3、等张比容（90.2K）：202.9

4、表面张力（dyne/cm）：60.0

5、极化率（10^-24cm³）：8.58

计算化学数据

1.疏水参数计算参考值（XlogP）:-1.1

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积40.5

7.重原子数量:6

8.表面电荷:0

9.复杂度:66

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

• 
  2-丁炔-1
• 
  4-二醇红外图谱(IR1)
• 
  2-丁炔-1
• 
  4-二醇红外图谱(IR2)