维生素B6

外观与性状：

白色粉末

熔点：

214-215 °C(lit.)

沸点：

491.9ºC at 760 mmHg

闪点：

251.3ºC

水溶解性：

0.1 g/mL (20 ºC)

存储条件/存储方法：

 本品应密封于阴凉干燥处避光保存。

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：白色结晶或结晶性粉末。无气味。味微咸苦。遇光渐变质。在空气中稳定。

2.       密度（g/mL,25/4℃）： 未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：205～212℃（分解并升华）。

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC）：140-150℃（1.33×10-5kPa）

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：1g产品溶于约4.5ml水、90ml乙醇，微溶于丙酮，不溶于乙醚和氯仿。

海关代码：

2936250000

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

S26-S37/39

RTECS号：

UV1350000

安全标志：

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：

Xi:Irritant

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UV1350000

CHEMICAL NAME :

Pyridoxol, hydrochloride

CAS REGISTRY NUMBER :

58-56-0

LAST UPDATED :

199712

DATA ITEMS CITED :

24

MOLECULAR FORMULA :

C8-H11-N-O3.Cl-H

MOLECULAR WEIGHT :

205.66

WISWESSER LINE NOTATION :

T6NJ B1 CQ D1Q E1Q &GH

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 :

4 gm/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

530 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5500 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2450 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

660 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

>500 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 :

Mammal - cat

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

560 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

464 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Bird - pigeon

DOSE/DURATION :

145 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

21400 mg/kg/15W-I

TOXIC EFFECTS :

Spinal Cord - demyelination Behavioral - changes in motor activity (specific assay) Behavioral - ataxia

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

2 mg/kg

SEX/DURATION :

female 38 week(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - postpartum

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

2 mg/kg

SEX/DURATION :

female 38 week(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - postpartum

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

8040 ug/kg

SEX/DURATION :

female 14 week(s) pre-mating - 12 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - biochemical and metabolic

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

4 gm/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

15 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

7500 mg/kg

SEX/DURATION :

male 6 week(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 :

15 gm/kg

SEX/DURATION :

male 6 week(s) pre-mating

TOXIC EFFECTS :

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

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Human Lymphocyte

DOSE/DURATION :

2 mg/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 124,175,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3950 No. of Facilities: 1955 (estimated) No. of Industries: 8 No. of Occupations: 39 No. of Employees: 57249 (estimated) No. of Female Employees: 35753 (estimated)

中国海关编码：2936250000

申报要素：

品名, 成分含量, 用途, 包装, 是否吸附于载体(如硅胶)

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：

HS: 2936250000. (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol. VAT:17.0%. tax rebate rate:13.0%. supervision conditions:ab(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tarrif:4.0%. general tariff:20.0%

分子结构数据

五、分子性质数据：

1、   摩尔折射率：43.95

2、   摩尔体积（cm³/mol）：124.9

3、   等张比容（90.2K）：361.1

4、   表面张力（dyne/cm）：69.7

5、   极化率（10^-24cm³）：17.42

计算化学数据

1、   计疏水参数计算参考值（XlogP）：

2、   氢键供体数量：4

3、   氢键受体数量：4

4、   可旋转化学键数量：2

5、   互变异构体数量：3

6、   拓扑分子极性表面积（TPSA）：73.6

7、   重原子数量：13

8、   表面电荷：0

9、   复杂度：142

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：2

• 
  盐酸吡哆辛红外图谱(IR1)
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  盐酸吡哆辛红外图谱(IR2)
• 
  盐酸吡哆辛质谱(MS)
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  盐酸吡哆辛核磁图(¹³CNMR)
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  盐酸吡哆辛核磁图(¹HNMR)