1-Butanamine,N,N-dibutyl-
- 中文别名：三正丁胺
- 中文释义：三正丁胺;三丁胺;三丁基胺;N,N-二丁基-1-丁胺
- 英文别名：tributylamine;
Tri-n-butylamine;
tributyl-amine;
TNBA;
amine,tributyl;
Tributilamina;
Tri-n-butylamin;
Tributyamine;
tri-n-butyl amine;
TRI-N-AMYLAMINE;
N,N,N-trisbutylamine;
Tributylamine
- CAS No.：102-82-9
- 分子式：
C12H27N
- 分子量：185.35
- 精确分子量：185.21400
- PSA：3.24000
- MDL：MFCD00009431
- InChI：InChI=1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3/p+1
- 分子结构式：
物化性质
- 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]
安全信息
- 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]
毒理性
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）
海关数据
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%
分子结构与计算化学数据
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
