没食子酸丙酯

外观与性状：

白色粒状的

密度：

1.363g/cm3

熔点：

146-149 °C(lit.)

沸点：

448.6ºC at 760 mmHg

闪点：

181.3ºC

水溶解性：

0.35 g/100 mL (25 ºC)

折射率：

1.5204 (167ºC)

存储条件/存储方法：

密封于阴凉干燥处避光保存。

稳定性相关：

1.有铁和铁盐存在时颜色变深。25℃时溶解度：水中为0.35g/100ml，乙醇中为103g/100g，乙醚中为83g/100g。30℃时在棉子油中溶解度为1.23g/100g，45℃时在猪脂中溶解度为1.14g/100g。低毒。150℃以上分解。光线能促进其分解。热比较稳定，易溶于乙醇、乙醚、丙酮，难溶于氯仿、脂肪烃和水。

其它信息：

1.   性状：白色至淡褐色结晶性粉末或乳白色针状结晶，无臭，稍有苦味。

2.   熔点（℃）：150

3.   水溶性（g/100mL,25 ºC）：0.35

4.   溶解性：易溶于乙醇、丙酮和乙醚，难溶于三氯甲烷、脂肪与水。

海关代码：

29182950

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R22;R43

安全说明：

S24-S37

RTECS号：

LW8400000

安全标志：

S24:避免接触皮肤。
S37:使用合适的防护手套。
S36:穿戴合适的防护服装。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

LW8400000

CHEMICAL NAME :

Gallic acid, propyl ester

CAS REGISTRY NUMBER :

121-79-9

LAST UPDATED :

199710

DATA ITEMS CITED :

27

MOLECULAR FORMULA :

C10-H12-O5

MOLECULAR WEIGHT :

212.22

WISWESSER LINE NOTATION :

QR BQ CQ EVO3

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 :

2100 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 :

380 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2500 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1700 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 :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

2750 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 :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

2480 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 :

42 gm/kg/14D-C

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

700 mg/kg/7D-I

TOXIC EFFECTS :

Liver - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

113750 mg/kg/13W-C

TOXIC EFFECTS :

Gastrointestinal - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

84 gm/kg/14D-C

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

168 gm/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

45 gm/kg

SEX/DURATION :

female 1-22 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 :

19 gm/kg

SEX/DURATION :

female 1-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

2500 mg/kg

SEX/DURATION :

female 1-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

Micronucleus test

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Ovary

DOSE/DURATION :

5 mg/L

REFERENCE :

SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 236,933,1987 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(3),23,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82907 No. of Facilities: 1188 (estimated) No. of Industries: 6 No. of Occupations: 8 No. of Employees: 5592 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82907 No. of Facilities: 1806 (estimated) No. of Industries: 18 No. of Occupations: 29 No. of Employees: 42475 (estimated) No. of Female Employees: 23494 (estimated)

毒理学数据：

低毒，半数致死量（大鼠，经口）LD50：3800mg/kg。有刺激性。

分子结构数据

1、   摩尔折射率：52.93

2、   摩尔体积（cm³/mol）：155.6

3、   等张比容（90.2K）：436.7

4、   表面张力（dyne/cm）：62.0

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率：20.98

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:3

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:14

6.拓扑分子极性表面积87

7.重原子数量:15

8.表面电荷:0

9.复杂度:206

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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  5-三羟基苯甲酸丙酯红外图谱(IR1)
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