磷酸三辛酯

外观与性状：

淡黄色液体

密度：

0.92 g/mL at 20 °C(lit.)

熔点：

-70°C

沸点：

215 °C4 mm Hg(lit.)

闪点：

>230 °F

水溶解性：

<0.1 g/100 mL at 18℃

折射率：

n20/D 1.444(lit.)

存储条件/存储方法：

储存在室内干燥、阴凉、通风处，运输过程中应防止猛烈撞击和雨淋。遇高热、明火或与氧化剂接触，有引起燃烧的危险。

稳定性相关：

常温常压下稳定

避免强氧化剂、强酸、强碱。

其它信息：

1.       性状：无色粘稠液体

2.       密度（g/mL,20℃）：0.92

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：-70

5.       沸点（ºC,常压）：200～220

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：n20/D 1.444(lit.)

8.       闪点（ºC）：216

9.       比旋光度（º）： 未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（mm Hg,20ºC）：2.1

12.    饱和蒸气压（kPa,38.4 ºC）：0.28

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（MPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：不溶于水，溶于醇、苯等，可与矿物油和汽油混溶。

海关代码：

2919900090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R38

安全说明：

S23-S43

RTECS号：

MP0770000

安全标志：

S23:不要吸入蒸汽。
S43:灭火时使用...（某种合适的灭火装置名称）。

危险标志：

Xi:Irritant;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MP0770000

CHEMICAL NAME :

1-Hexanol, 2-ethyl-, phosphate

CAS REGISTRY NUMBER :

78-42-2

BEILSTEIN REFERENCE NO. :

1715839

LAST UPDATED :

199710

DATA ITEMS CITED :

22

MOLECULAR FORMULA :

C24-H51-O4-P

MOLECULAR WEIGHT :

434.72

WISWESSER LINE NOTATION :

4Y2&1OPO&O1Y4&2&O1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,606,1969

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

37 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: 30,63,1948

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

30 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528341

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

40 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

29ZWAE "Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968 Volume(issue)/page/year: -,337,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

12800 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528341

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528341

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

46 gm/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: -,1133,1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

20 gm/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: -,1133,1986

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

450 mg/m3/30M

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: -,1133,1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

7600 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: 39(4),86,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

18900 mg/kg/9W-C

TOXIC EFFECTS :

Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 13,29,1982

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

46500 mg/kg/30D-C

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528359

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

32500 mg/kg/13W-I

TOXIC EFFECTS :

Gastrointestinal - other changes

REFERENCE :

NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-274,1984 ** TUMORIGENIC DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

520 gm/kg/2Y-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

REFERENCE :

EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 65,271,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80228 No. of Facilities: 108 (estimated) No. of Industries: 6 No. of Occupations: 22 No. of Employees: 3565 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80228 No. of Facilities: 40 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1209 (estimated) No. of Female Employees: 725 (estimated)

毒理学数据：

1、   皮肤、眼睛刺激毒性：兔子：250mg

2、   急性毒性：大鼠经口LD50：37 mg/kg

大鼠腹腔LD50：30mg/kg

大鼠未知LD50：40mg/kg

小鼠经口LD50：12800mg/kg

小鼠腹腔LD50：3200mg/kg

兔子经口LD50：46mg/kg

兔子皮肤LD50：20mg/kg

豚鼠经口LC50：46mg/kg

哺乳动物经口LD50：7600mg/kg

3、   其他多剂量毒性：大鼠经口TDLo：18900mg/kg/9W-C

                大鼠经口TDLo：46500mg/kg/30D-C

                小鼠经口TDLo：32500mg/kg/13W-I

4、   致肿瘤性：小鼠经口TDLo：520mg/kg/2Y-I

 

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

中国海关编码：2919900090

概述：

HS:2919900090 其他磷酸酯及其盐（包括乳磷酸盐）（包括它们的卤化，磺化，硝化和亚硝化衍生物） 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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

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：

2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated 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%

分子结构数据

1、   摩尔折射率：125.22

2、   摩尔体积（cm³/mol）：469.0

3、   等张比容（90.2K）：1110.2

4、   表面张力（dyne/cm）：31.3

5、   介电常数：无可用

6、   偶极距（10^-24cm³）：无可用

7、   极化率：49.64

计算化学数据

1.疏水参数计算参考值（XlogP）:8.9

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:21

5.互变异构体数量:无

6.拓扑分子极性表面积44.8

7.重原子数量:29

8.表面电荷:0

9.复杂度:345

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:3

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

• 
  磷酸三辛酯红外图谱(IR1)
• 
  磷酸三辛酯红外图谱(IR2)
• 
  磷酸三辛酯质谱(MS)
• 
  磷酸三辛酯核磁图(¹³CNMR)
• 
  磷酸三辛酯核磁图(¹HNMR)