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87-29-6生产厂家

87-29-6价格

87-29-6

87-29-6结构式
87-29-6结构式

化源商城直购

中文名 邻氨基苯甲酸肉桂酯
英文名 anthranilic acid cinnamyl ester
英文别名 3-PHENYL-2-PROPENYL ANTHRANILATE
cinnamylo-aminobenzoate
CINNAMYL ANTHRANILATE
2-aminobenzoic acid 3-phenyl-2-propenyl ester
cinnamyl2-aminobenzoate
MFCD00053631
anthranilic acid trans-cinnamyl ester
Anthranilsaeure-trans-cinnamylester
cinnamylalcohol,anthranilate
EINECS 201-738-8
2-aminobenzoic acid cinnamyl ester
cinnamylesterkyselinyanthranilove
cynnamyl anthranilate
Anthranilic acid cinnamyl
沸点 322ºC
熔点 64-66ºC
分子式 C16H15NO2
分子量 253.29600
闪点 322ºC
精确质量 253.11000
PSA 52.32000
LogP 3.72020
折射率 1.642
储存条件

贮于阴凉干燥处。

稳定性

带棕褐色粉末,具香脂膏香、水果香气。

分子结构

五、分子性质数据:

1、 摩尔折射率:77.72

2、 摩尔体积(cm3/mol):214.9

3、 等张比容(90.2K):576.2

4、 表面张力(dyne/cm):51.6

5、 极化率(10-24cm3):30.81

计算化学

1、 疏水参数计算参考值(XlogP):4

2、 氢键供体数量:1

3、 氢键受体数量:3

4、 可旋转化学键数量:4

5、 互变异构体数量:2

6、 拓扑分子极性表面积(TPSA):52.3

7、 重原子数量:19

8、 表面电荷:0

9、 复杂度:308

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:1

14、 不确定化学键立构中心数量:0

15、 共价键单元数量:1

更多

一、物性数据

1. 性状:带棕褐色粉末,具香脂膏香、水果香气。

2. 密度(g/mL,25/4℃):1.18

3. 相对蒸汽密度(g/mL,空气=1):不确定

4. 熔点(ºC):64-66

5. 沸点(ºC,常压):322

6. 沸点(ºC,5.2kPa):不确定

7. 折射率:不确定

8. 闪点(ºC):322

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

毒理学数据:

毒性分级 中毒 急性毒性:口服-大鼠 LD50: 5000 毫克/公斤; 皮肤-兔子 LD50: 5000 毫克/公斤。 在闭合条件下,产物涂抹于完好无损或损伤的兔子皮肤上经1日后有轻微的刺激作用。若用4%浓度产物的凡士林涂于人体皮肤上做48h的封闭性接触试验未发现有刺激作用。以同样的剂量在人身上进行最大限度的致敏试验。均未发现异常现象。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB2725000
CHEMICAL NAME :
Anthranilic acid, cinnamyl ester
CAS REGISTRY NUMBER :
87-29-6
LAST UPDATED :
199801
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C16-H15-N-O2
MOLECULAR WEIGHT :
253.32
WISWESSER LINE NOTATION :
ZR BVO2U1R

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 :
>5 gm/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 :
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
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
125 gm/kg/13W-C
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.) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg/3D-I
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39949 mg/kg/13W-C
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg/3D-I
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
546 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1310 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 gm/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2621 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1092 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Kidney, Ureter, Bladder - Kidney tumors

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
80 umol/L
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8,515,1986 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,133,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,133,1983 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

安全声明 (欧洲) S22-S24/25
RTECS号 CB2725000
海关编码 2922439000

~%

87-29-6结构式

87-29-6

文献:Journal of Organic Chemistry, , vol. 24, p. 1214,1216, 1218

由邻氨基苯甲酸与桂醇脱水酯化。

海关编码 2922439000
中文概述 2922439000. 邻氨基苯甲酸(氨茴酸)盐. 增值税率:17.0%. 退税率:9.0%. 监管条件:23(两用物项和技术进口许可证,两用物项和技术出口许可证). 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
Summary 2922439000 anthranilic acid salts。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%