柠檬酸三乙酯

外观与性状：

油性无色液体

密度：

1.137 g/mL at 25 °C(lit.)

熔点：

-46 °C

沸点：

294 °C

闪点：

>230 °F

水溶解性：

5.7 g/100 mL (25 ºC)

折射率：

n20/D 1.442(lit.)

蒸汽密度：

9.7 (vs air)

存储条件/存储方法：

本品密封阴凉干燥保存。

稳定性相关：

无色透明液体。具有甜和愉快的果子酒、梅子样香气。溶于大多数有机溶剂。难溶于油类。与大多数纤维素、聚氯乙烯、聚醋酸乙烯树脂及氯化橡胶等有良好的相容性。在水中的溶解度（25℃）6.5g/100cm3。

其它信息：

1.       性状：无色透明液体，具有甜和愉快的果子酒、梅子样香气

2.       密度（g/mL,20/4℃）：1.1369

3.       常温折射率（n²⁰）：1.4455

4.       熔点（ºC）：-55

5.       沸点（ºC,常压）：294

6.       沸点（ºC,0.133kPa）：127

7.       折射率（20ºC）：1.4455

8.       闪点（ºC）：110

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：溶于大多数有机溶剂。难溶于油类。与大多数纤维素、聚氯乙烯、聚醋酸乙烯树脂及氯化橡胶等有良好的相容性。25℃水中溶解度6.5g/100mL。

海关代码：

2918150000

WGK_Germany：

1
德国有关水污染物质的分类清单

安全说明：

S24/25

RTECS号：

GE8050000

安全标志：

S24/25:防止皮肤和眼睛接触。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GE8050000

CHEMICAL NAME :

Citric acid, triethyl ester

CAS REGISTRY NUMBER :

77-93-0

BEILSTEIN REFERENCE NO. :

1801199

LAST UPDATED :

199701

DATA ITEMS CITED :

12

MOLECULAR FORMULA :

C12-H20-O7

MOLECULAR WEIGHT :

276.32

WISWESSER LINE NOTATION :

2OV1XQVO2&1VO2

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 :

5900 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,214,1985

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1300 ppm/6H

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - pleural effusion Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63 Volume(issue)/page/year: 2,1892,1963

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,214,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6600 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,214,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1750 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Vascular - other changes

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,774,1964

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

3500 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - nausea or vomiting

REFERENCE :

FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,389,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,389,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

>25 mL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2703360 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4900 mg/kg/14D-I

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,774,1964

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

15904 mg/kg/8W-C

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Behavioral - ataxia

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,283,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7556 No. of Facilities: 358 (estimated) No. of Industries: 9 No. of Occupations: 20 No. of Employees: 11496 (estimated) No. of Female Employees: 3993 (estimated)

毒理学数据：

1、急性毒性：大鼠口径LD50:5900 mg/kg；大鼠吸入LC50:1300ppm/6H；

                          大鼠腹腔LD50:4 mg/kg；大鼠皮下LD50:6600mg/kg；

                          小鼠腹腔LD50:1750 mg/kg；猫口径LD50:3500mg/kg；

                          兔子皮肤LD50:>5mg/kg；猪口径LD50:>25mL/kg；

2、其他多剂量毒性数据：小鼠腹腔LD50: 4900mg/kg/14D-I；猫口径TDLO：15904 mg/kg/8W-C

 

中国海关编码：2918150000

概述：

2918150000. 柠檬酸盐和柠檬酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:4ABxy(出口许可证,入境货物通关单,出境货物通关单出口许可证(加工贸易),出口许可证(边境小额贸易)). 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：

4.出口许可证A.入境货物通关单B.出境货物通关单x.出口许可证(加工贸易)y.出口许可证(边境小额贸易)

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N.出口商品检验

摘要/Summary：

2918150000. other salts and esters of citric acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:4ABXY(export license,certificate of inspection for goods inward,certificate of inspection for goods outwardexport license(processing trade),export license(border small volume trade)). MFN tariff:6.5%. General tariff:30.0%

分子结构数据

1、   摩尔折射率：64.46

2、   摩尔体积（cm³/mol）：234.6

3、   等张比容（90.2K）：595.5

4、   表面张力（dyne/cm）：41.5

5、   极化率（10^-24cm³）：25.55

计算化学数据

1.疏水参数计算参考值（XlogP）:0.1

2.氢键供体数量:1

3.氢键受体数量:7

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积99.1

7.重原子数量:19

8.表面电荷:0

9.复杂度:304

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

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