三正丁胺

外观与性状：

透明至淡黄色液体

密度：

0.778 g/mL at 25 °C(lit.)

熔点：

−70 °C(lit.)

沸点：

216 °C(lit.)

闪点：

146 °F

水溶解性：

0.386 g/L (25 ºC)

折射率：

n20/D 1.428(lit.)

蒸汽压：

0.149mmHg at 25°C

蒸汽密度：

6.38 (vs air)

存储条件/存储方法：

库房通风低温干燥,与酸、氧化剂分开存放

稳定性相关：

1.化学性质：具有叔胺的化学反应性质。对氧化剂不稳定。在氯仿或甲醇中与臭氧反应，生成氮的氧化物、二丁胺等。

2.稳定性^[20]  稳定

3.禁配物^[21]  强氧化剂、酸类、酰基氯、酸酐

4.聚合危害^[22]  不聚合

5.分解产物^[23]  胺

其它信息：

1.性状：无色至黄色吸湿性液体，有类似氨的气味。^[1]

2.熔点（℃）：-70^[2]

3.沸点（℃）：216.5^[3]

4.相对密度（水=1）：0.778^[4]

5.相对蒸气密度（空气=1）：6.4^[5]

6.饱和蒸气压（kPa）：0.0387（25℃）^[6]

7.临界温度（℃）：365.2^[7]

8.临界压力（MPa）：1.8^[8]

9.辛醇/水分配系数：1.52^[9]

10.闪点（℃）：86（OC）^[10]

11.引燃温度（℃）：210^[11]

12.爆炸上限（%）：6.0^[12]

13.爆炸下限（%）：1.4^[13]

14.溶解性：不溶于水，溶于乙醇、乙醚及多数有机溶剂。^[14]

包装等级：

II

风险类别：

6.1

海关代码：

2921199090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R23/24/25;R38;R51/53

安全说明：

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

RTECS号：

YA0350000

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）。
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：

T:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

YA0350000

CHEMICAL NAME :

Tributylamine

CAS REGISTRY NUMBER :

102-82-9

BEILSTEIN REFERENCE NO. :

1698872

LAST UPDATED :

199710

DATA ITEMS CITED :

17

MOLECULAR FORMULA :

C12-H27-N

MOLECULAR WEIGHT :

185.40

WISWESSER LINE NOTATION :

4N4&4

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 :

114 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TLSMA6 Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. (Leningrad, Russia) V.1-145, 1949-82. Discontinued. Volume(issue)/page/year: 115,57,1977

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

75 ppm/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

380 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - coma Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 20,435,1923

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

114 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(12),36,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

615 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(12),36,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

250 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

350 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(12),36,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

888 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(11),50,1984

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

107 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(11),50,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1119 mg/kg/26W-I

TOXIC EFFECTS :

Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(12),36,1977

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

107 mg/kg/3D-I

TOXIC EFFECTS :

Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(11),50,1984 *** REVIEWS *** TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 9,389,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83937 No. of Facilities: 2039 (estimated) No. of Industries: 48 No. of Occupations: 33 No. of Employees: 27671 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83937 No. of Facilities: 2898 (estimated) No. of Industries: 36 No. of Occupations: 31 No. of Employees: 51214 (estimated) No. of Female Employees: 15366 (estimated)

毒理学数据：

1、急性毒性：大鼠经口LD50：114mg/kg；大鼠吸入LCL0：75ppm/4H；大鼠皮下LDL0：380mg/kg；小鼠经口LD50：114mg/kg；兔子经口LD50：615mg/kg；兔子皮肤接触LD50：250μL/kg；豚鼠经口LD50：350mg/kg；哺乳动物经口LD50：888mg/kg；哺乳动物腹膜腔LD50：107mg/kg；

2、其他多剂量毒性：兔子经口TDLo：1119mg/kg/26W-I；哺乳动物腹膜腔TDLo：107mg/kg/3D-I；

3、能刺激眼睛和皮肤，与皮肤直接接触引起皮肤炎。

4.急性毒性^[15]  LD50：114mg/kg（大鼠经口）；250μl（195mg）/kg（兔经皮）

5.刺激性  暂无资料

6.亚急性与慢性毒性^[16]  大鼠暴露于910mg/m³，每次6h，19次，动物表现不安，动作不协调，震颤及鼻刺激症状。体重未见增加，脏器组织学无异常。220mg/m³仅有轻微嗜睡状态。

生态数据：

1.生态毒性^[17]  LC50：16.3mg/L（48h）（青鳉）

2.生物降解性^[18]  NITI-I测试，初始浓度100mg/L，污泥浓度30mg/L，4周后降解2%。

3.非生物降解性  暂无资料

4.生物富集性^[19]  BCF：38（理论）；0.38~18（鲤鱼，接触浓度100mg/L，接触时间28d）；3.2~47（鲤鱼，接触浓度10mg/L，接触时间28d）

中国海关编码：2921199090

概述：

2921199090 其他无环单胺及其衍生物及其盐。监管条件:无。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

摘要/Summary：

2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构数据

1、摩尔折射率：61.36

2、摩尔体积（cm³/mol）：233.8

3、等张比容（90.2K）：535.2

4、表面张力（dyne/cm）：27.4

5、介电常数：

6、偶极距（10^-24cm³）：

7、极化率：24.32

计算化学数据

1.疏水参数计算参考值（XlogP）:4

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:9

5.互变异构体数量:无

6.拓扑分子极性表面积3.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:72.1

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

• 
  三丁胺质谱(MS)
• 
  三丁胺核磁图(¹³CNMR)
• 
  三丁胺红外图谱(IR1)
• 
  三丁胺红外图谱(IR2)
• 
  三丁胺Raman光谱