3,5-Dimethyl-4-aminophenol

物化性质

外观与性状：

棕色固体

密度：

1.118g/cm3

熔点：

181 °C

沸点：

296.5ºC at 760mmHg

闪点：

133.1ºC

折射率：

1.6

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1. 性状：无可用

2. 密度（g/mL,25/4℃）：无可用

3. 相对蒸汽密度（g/mL,空气=1）：无可用

4. 熔点（ºC）：181

5. 沸点（ºC,常压）：无可用

6. 沸点（ºC,5.2kPa）：无可用

7. 折射率：无可用

8. 闪点（ºC）：无可用

9. 比旋光度（º）：无可用

10. 自燃点或引燃温度（ºC）：无可用

11. 蒸气压（kPa,25ºC）：无可用

12. 饱和蒸气压（kPa,60ºC）：无可用

13. 燃烧热（KJ/mol）：无可用

14. 临界温度（ºC）：无可用

15. 临界压力（KPa）：无可用

16. 油水（辛醇/水）分配系数的对数值：无可用

17. 爆炸上限（%,V/V）：无可用

18. 爆炸下限（%,V/V）：无可用

19. 溶解性：无可用

安全信息

外观与性状：

棕色固体

密度：

1.118g/cm3

熔点：

181 °C

沸点：

296.5ºC at 760mmHg

闪点：

133.1ºC

折射率：

1.6

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1. 性状：无可用

2. 密度（g/mL,25/4℃）：无可用

3. 相对蒸汽密度（g/mL,空气=1）：无可用

4. 熔点（ºC）：181

5. 沸点（ºC,常压）：无可用

6. 沸点（ºC,5.2kPa）：无可用

7. 折射率：无可用

8. 闪点（ºC）：无可用

9. 比旋光度（º）：无可用

10. 自燃点或引燃温度（ºC）：无可用

11. 蒸气压（kPa,25ºC）：无可用

12. 饱和蒸气压（kPa,60ºC）：无可用

13. 燃烧热（KJ/mol）：无可用

14. 临界温度（ºC）：无可用

15. 临界压力（KPa）：无可用

16. 油水（辛醇/水）分配系数的对数值：无可用

17. 爆炸上限（%,V/V）：无可用

18. 爆炸下限（%,V/V）：无可用

19. 溶解性：无可用

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ZE6740000

CHEMICAL NAME :

3,5-Xylenol, 4-amino-

CAS REGISTRY NUMBER :

3096-70-6

BEILSTEIN REFERENCE NO. :

2082260

LAST UPDATED :

199612

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C8-H11-N-O

MOLECULAR WEIGHT :

137.20

WISWESSER LINE NOTATION :

ZR DQ B1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,11,1953

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

412 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic Lungs, Thorax, or Respiration - cyanosis Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :

AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 72,241,1913

毒理学数据：

1 。
试验方法：口服
摄入剂量： “ 500毫克/千克
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值
2 。
试验方法：口服
摄入剂量： 412毫克/千克
测试对象：哺乳动物-猫
毒性类型：急性
毒性作用： 1.一般麻醉
2.肺，胸部或呼吸-紫绀
3.高铁血红蛋白血症，

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

4-Amino-3,5-xylenolRevision number: 1
SAFETY DATA SHEET
Section1. BASE INFORMATION
Product name:4-Amino-3,5-xylenol
Revision number:1
Section2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Category 4
Acute toxicity (Oral)
Acute toxicity (Dermal)Category 4
Category 4
Acute toxicity (Inhalation)
Skin corrosion/irritationCategory 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDSNot classified
GHS label elements
Pictograms or hazard symbols
Signal wordWarning
Hazard statementHarmful by inhalation, in contact with skin and if swallowed
Causes skin irritation
Causes serious eye irritation
Precautionary statements
[Prevention]Avoid breathing.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
[Response]
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government
4-Amino-3,5-xylenol
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Component(s):4-Amino-3,5-xylenol
Percent:>98.0%(GC)(T)
CAS Number:3096-70-6
Synonyms:4-Amino-3,5-dimethylphenol , 4-Hydroxy-2,6-dimethylaniline
Chemical Formula:C8H11NO
Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.
Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards:Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.
Section7. HANDLING AND STORAGE
Handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling:Avoid contact with skin, eyes and clothing.
Storage
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Law is followed.
4-Amino-3,5-xylenol
Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
crystal - powder
Form:
Color:White - Greyish reddish yellow
No data available
Odor:
pH: No data available
Melting point/freezing point:181 °C
Boiling Point/Range:No data available
Flash Point:No data available
Explosive limits
No data available
Lower:
Upper:No data available
No data available
Density:
Solubility:Soluble in : Methanol
Section10. STABILITY AND REACTIVITY
Stability:Stable under proper conditions.
Reactivity:No special reactivity has been reported.
Conditions to avoid:Light-sensitive, Air-sensitive
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:orl-cat LDLo:412 mg/kg
orl-rat LD:>500 mg/kg
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP =No data available
No data available
Reproductive toxicity:
RTECS Number:ZE6740000
Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobillity in soil
log Pow:No data available
Soil adsorption (Koc):No data available
4-Amino-3,5-xylenol
Section12. ECOLOGICAL INFORMATION
Henry's LawNo data available
constant(PaM3/mol):
Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.
Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
Not Listed
UN-No:
Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2922299090

概述：

2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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

摘要/Summary：

2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：42.02

2、 摩尔体积（m³/mol）：122.6

3、 等张比容（90.2K）：323.4

4、 表面张力（dyne/cm）：48.2

5、 极化率（10^-24cm³）：16.65

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:2

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:10

6.拓扑分子极性表面积46.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:104

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