香草醛(药用)

外观与性状：

白色或非常略黄色针状

密度：

1.06

熔点：

81-83 °C(lit.)

沸点：

170 °C15 mm Hg(lit.)

闪点：

147 °C

水溶解性：

10 g/L (25 ºC)

折射率：

1.555

蒸汽压：

0.00194mmHg at 25°C

蒸汽密度：

5.3 (vs air)

存储条件/存储方法：

内衬聚乙烯袋、外套铁听包装。贮存于干燥通风的库房内。

稳定性相关：

1.与高级醇和酮类反应产生蓝绿色，与脱氧糖类、氨基酸、胺类反应产生颜色或荧光。

2. 存在于烟叶中。

3. 天然存在于芦笋、咖啡、香荚兰。

其它信息：

1. 性状：白色至淡黄色结晶粉末或针状结晶。

海关代码：

2912410000

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R22

安全说明：

S24/25-S22

RTECS号：

YW5775000

安全标志：

S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S24/25:防止皮肤和眼睛接触。
:

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

YW5775000

CHEMICAL NAME :

Vanillin

CAS REGISTRY NUMBER :

121-33-5

BEILSTEIN REFERENCE NO. :

0472792

LAST UPDATED :

199710

DATA ITEMS CITED :

24

MOLECULAR FORMULA :

C8-H8-O3

MOLECULAR WEIGHT :

152.16

WISWESSER LINE NOTATION :

VHR DQ CO1

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 :

1580 mg/kg

TOXIC EFFECTS :

Behavioral - coma

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>41700 ug/kg/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>2 gm/kg

TOXIC EFFECTS :

Liver - jaundice, other or unclassified

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1160 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 :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1500 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3925 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - coma

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>41700 ug/kg/2H

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 :

475 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

1320 mg/kg

TOXIC EFFECTS :

Vascular - BP lowering not characterized in autonomic section Vascular - acute arterial occlusion Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3 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 :

>5010 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - peritonitis

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1400 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4480 mg/kg/70D-I

TOXIC EFFECTS :

Cardiac - other changes Blood - changes in spleen Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

273 gm/kg/13W-C

TOXIC EFFECTS :

Liver - other changes Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

41700 ug/m3/4H/30D-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

20 mg/kg

SEX/DURATION :

female 4 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Human Lymphocyte

DOSE/DURATION :

750 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,611,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0609 No. of Facilities: 378 (estimated) No. of Industries: 14 No. of Occupations: 28 No. of Employees: 6740 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0609 No. of Facilities: 10912 (estimated) No. of Industries: 89 No. of Occupations: 97 No. of Employees: 177946 (estimated) No. of Female Employees: 69887 (estimated)

毒理学数据：

口服LD50：2~2.8g/kg（大鼠）

中国海关编码：2912410000

概述：

HS: 2912410000. 香草醛(3-甲氧基-4-羟基苯甲醛). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最低关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 四聚甲醛报明外观

摘要/Summary：

HS: 2912410000. 4-hydroxy-3-methoxybenzaldehyde. VAT:17.0%. tax rebate rate:13.0%. supervision conditions:None. MFN tarrif:5.5%. general tariff:30.0%

分子结构数据

1、   摩尔折射率：41.56

2、   摩尔体积（cm³/mol）：123.5      

3、   等张比容（90.2K）：324.0

4、   表面张力（dyne/cm）：47.3

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率：16.47

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:3

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积46.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:135

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

• 
  香兰醛红外图谱(IR1)
• 
  香兰醛红外图谱(IR2)
• 
  香兰醛红外图谱(IR3)
• 
  香兰醛质谱(MS)
• 
  香兰醛核磁图(¹³CNMR)
• 
  香兰醛核磁图(¹HNMR)