1,2-Benzenedicarboxylicacid, 1-(2-ethylhexyl) ester

物化性质

密度：

0.107 g/cm3

熔点：

25-27ºC

沸点：

408.9ºC at 760 mmHg

闪点：

144.1ºC

存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：不确定

2. 密度（g/mL,25/4℃）：1.07

3. 相对蒸汽密度（g/mL,空气=1）：不确定

4. 熔点（ºC）：不确定

5. 沸点（ºC）：不确定

6. 沸点（ºC, 0.4 mmHg）：不确定

7. 折射率：不确定

8. 闪点（°F）：不确定

9. 比旋光度（º）：不确定

10. 自燃点或引燃温度（ºC）：不确定

11. 蒸气压（kPa,25ºC）：不确定

12. 饱和蒸气压（kPa,60ºC）：不确定

13. 燃烧热（KJ/mol）：不确定

14. 临界温度（ºC）：不确定

15. 临界压力（KPa）：不确定

16. 油水（辛醇/水）分配系数的对数值：不确定

17. 爆炸上限（%,V/V）：不确定

18. 爆炸下限（%,V/V）：不确定

19. 溶解性：不确定

安全信息

密度：

0.107 g/cm3

熔点：

25-27ºC

沸点：

408.9ºC at 760 mmHg

闪点：

144.1ºC

存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：不确定

2. 密度（g/mL,25/4℃）：1.07

3. 相对蒸汽密度（g/mL,空气=1）：不确定

4. 熔点（ºC）：不确定

5. 沸点（ºC）：不确定

6. 沸点（ºC, 0.4 mmHg）：不确定

7. 折射率：不确定

8. 闪点（°F）：不确定

9. 比旋光度（º）：不确定

10. 自燃点或引燃温度（ºC）：不确定

11. 蒸气压（kPa,25ºC）：不确定

12. 饱和蒸气压（kPa,60ºC）：不确定

13. 燃烧热（KJ/mol）：不确定

14. 临界温度（ºC）：不确定

15. 临界压力（KPa）：不确定

16. 油水（辛醇/水）分配系数的对数值：不确定

17. 爆炸上限（%,V/V）：不确定

18. 爆炸下限（%,V/V）：不确定

19. 溶解性：不确定

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TI2500000

CHEMICAL NAME :

Phthalic acid, mono-(2-ethylhexyl) ester

CAS REGISTRY NUMBER :

4376-20-9

LAST UPDATED :

199712

DATA ITEMS CITED :

40

MOLECULAR FORMULA :

C16-H22-O4

MOLECULAR WEIGHT :

278.38

WISWESSER LINE NOTATION :

QVR BVO1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1340 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

415 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 :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

150 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

240 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 :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

208 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7 gm/kg/14D-I

TOXIC EFFECTS :

Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

8400 mg/kg/1W-C

TOXIC EFFECTS :

Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - lipids including transport

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

168 mg/kg/28D-C

TOXIC EFFECTS :

Blood - pigmented or nucleated red blood cells Blood - changes in leukocyte (WBC) count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

675 mg/kg/90D-C

TOXIC EFFECTS :

Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6825 mg/kg/26W-C

TOXIC EFFECTS :

Liver - changes in liver weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

7 gm/kg/14D-I

TOXIC EFFECTS :

Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

4500 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - other neonatal measures or effects

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

6320 ug/kg

SEX/DURATION :

male 7 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

3750 mg/kg

SEX/DURATION :

male 5 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

1 gm/kg

SEX/DURATION :

male 20 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

500 mg/kg

SEX/DURATION :

male 10 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - other effects on male

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

4360 mg/kg

SEX/DURATION :

female 6-13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

100 mg/kg

SEX/DURATION :

female 7 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

350 mg/kg

SEX/DURATION :

male 1 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

100 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1241 mg/kg

SEX/DURATION :

female 1-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

9 gm/kg

SEX/DURATION :

male 9 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :

Specific locus test

TYPE OF TEST :

Morphological transformation

TYPE OF TEST :

Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :

Mutation in mammalian somatic cells

TEST SYSTEM :

Rodent - hamster Lung

DOSE/DURATION :

750 mg/L

REFERENCE :

ESKGA2 Eisei Kagaku. Hygienic Chemistry. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1953- Volume(issue)/page/year: 28,P36,1982

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

海关数据

中国海关编码：2922509090

概述：

2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

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

摘要/Summary：

2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . 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：77.34

2、 摩尔体积（m³/mol）：255.7

3、 等张比容（90.2K）：650.1

4、 表面张力（dyne/cm）：41.7

5、 极化率（10^-24cm³）：30.66

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:4

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63.6

7.重原子数量:20

8.表面电荷:0

9.复杂度:314

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:1

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