91-68-9 (3-羟基-N,N-二乙基苯胺,3-Diethylaminophenol)

快速询单

结构式：

3-羟基-N,N-二乙基苯胺MOL文件

CAS号：

91-68-9

中文名称：

3-羟基-N,N-二乙基苯胺

英文名称：

3-Diethylaminophenol

安全信息：

分子式：

C₁₀H₁₅NO

分子量：

165.232202768326

3-羟基-N,N-二乙基苯胺(91-68-9)名称与标识符

名称

中文别名：

3-羟基-N,N-二乙基苯胺;间二乙氨基苯酚;3-二乙氨基苯酚;3-二乙氨基酚;N,N-二乙基-3-氨基苯酚;N,N-Diethyl-3-aminophenol N,N-二乙基-3-氨基苯酚;间羟基-N,N-二乙基苯胺;间羟基-N.N-二乙基苯胺;

英文别名：

3-(Diethylamino)phenol;3-diethylaminophenol;N,N-Diethyl-3-aminophenol;3-Hydroxy-N,N-diethylaniline;m-Diethylaminophenol;Phenol, 3-(diethylamino)-;N,N-Diethyl-m-aminophenol;m-(Diethylamino)phenol;Phenol, m-(diethylamino)-;N,N-Diethyl-3-hydroxyaniline;3-(Diethylamino) Phenol;BQY98Q7YU5;WAVOOWVINKGEHS-UHFFFAOYSA-N;NSC93934;3-diethylamino phenol;3-diethylamino-phenol;PubChem19876;3-(diethylamino)-phenol;3-n,n-diethyl;3-(Diethylamino)phenol (ACI);Phenol, m-(diethylamino)- (6CI, 7CI, 8CI);3-(N,N-Diethylamino)phenol;m-Hydroxy-N,N-diethylaniline;N,N-Diethyl-3-Hydroxybenzenamine;NSC 93934;

标识符

MDL：

MFCD00002265

InChIKey：

WAVOOWVINKGEHS-UHFFFAOYSA-N

Inchi：

1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3

SMILES：

OC1C=C(N(CC)CC)C=CC=1

BRN：

0908212

3-羟基-N,N-二乙基苯胺(91-68-9)物化性质

实验特性

LogP : 2.23840
PSA : 23.47000
折射率 : 1.4820 (estimate)
水溶性 : <0.1 g/100 mL at 20.5 ºC
沸点 : 280°C(lit.)
熔点 : 72.0 to 75.0 deg-C
闪点 : 华氏：285.8 °F
摄氏：141 °C
FEMA : 2744
颜色与性状 : 白色或玫瑰色结晶
溶解性 : 溶于水、乙醇、乙醚和碱，微溶于石油烃。
密度 : 1.0203 (rough estimate)

计算特性

精确分子量 : 165.11500
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 165.115364
重原子数量 : 12
复杂度 : 123
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.3
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 23.5

3-羟基-N,N-二乙基苯胺(91-68-9)安全信息

符号： GHS07
RTECS号： SL0550500
WGK Germany： 3
安全术语： 6.1
安全说明： S36/37/39-S45-S22-S26
包装等级： III
风险术语： R25
危险品标志： T
危险品运输编号： UN 2512 6.1/PG 3
危害声明：H315,H319,H335
警示性声明：P261,P305+P351+P338
提示语：警告
储存条件： 0-10°C
危险类别码： 36/37/38
信号词： Warning

3-羟基-N,N-二乙基苯胺(91-68-9)国际标准相关数据

EINECS：

4615

3-羟基-N,N-二乙基苯胺(91-68-9)海关数据

海关编码：

29222900

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

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%

3-羟基-N,N-二乙基苯胺(91-68-9)推荐厂家更多厂家(86)

公司名称	手机号/电话	联系人	QQ	询单
南通润丰石油化工有限公司	19952847550 0513-66017696	曹海燕	2143087160	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北广奥生物科技有限公司	13657291602	郭银	1098480033	询单
湖北万得化工有限公司	15827180502 027-59210159	陈丹丹	1148980033	询单
江苏雷恩环保科技有限公司	18662920632 0513-66017275	费小姐	3485543679	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
江苏新素新材料有限公司	13914000513 0512-66387919	孙文婷	3771156959	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
江苏润丰合成科技有限公司	18662931390 0513-66017679	蔡经理	507167383	询单

3-羟基-N,N-二乙基苯胺(91-68-9)合成路线

合成路线：1 步

109-89-7

95-57-8

_96%

91-68-9

反应条件：

1.1 Reagents: Sodium amide

参考文献：

Process for the preparation of carbocylic meta-(amino)hydroxyaromatic compounds from the condensation of meta-(halo)hydroxyaromatic compounds and amines

, European Patent Organization, , ,

合成路线：1 步

591-27-5

75-07-0

_96%

91-68-9

反应条件：

1.1 Reagents: Acetic acid , Hydrogen Catalysts: Lead , Platinum (activated carbon supported) Solvents: Methanol

参考文献：

N-Alkylaminophenols

, European Patent Organization, , ,

合成路线：1 步

591-27-5

64-67-5

_93%

91-68-9

参考文献：

Preparation of (alkylamino)phenols

, Japan, , ,

合成路线：1 步

591-27-5

75-03-6

_85%

91-68-9

反应条件：

1.1 Solvents: Ethanol ; 6 h, 70 °C

参考文献：

Synthesis of 3-(diethylamino)phenol

Dok, Hong Jong; I, Om Chol, Choson Minjujuui Inmin Konghwaguk Kwahagwon Tongbo, 2010, 99(5), 54-55

合成路线：1 步

109-89-7

108-46-3

_68%

91-68-9

反应条件：

1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Water ; 0.05 MPa, rt; rt → 200 °C; 3 h, 200 °C

参考文献：

Mechanism study on Raney nickel-catalyzed amination of resorcinol

Ge, Xin; Pan, Jiong-bin; Qian, Chao; Feng, Lie; Chen, Yun-bin; et al, Catalysis Communications, 2014, 46, 201-207

合成路线：1 步

591-27-5

64-67-5

_65%

91-68-9

反应条件：

1.1 Reagents: Sodium carbonate Solvents: Benzene ; 80 °C; 1.5 h, reflux
1.2 Solvents: Water ; reflux; 1 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 7, cooled

参考文献：

Applied research of orthogonal experiment method in synthesis of 3-methyl-7-diethylamino-1,4-benzoxazin-2-ketone

Wang, Cong; Deng, Cheng-zhi; Cai, Jing, Yingyong Huagong, 2013, 42(3), 467-469

合成路线：1 步

109-89-7

108-46-3

_58%

91-68-9

64287-26-9

反应条件：

1.1 Catalysts: Triethyl phosphite , Phosphonic acid

参考文献：

Method for producing aminophenol derivatives by condensation of divalent phenols with amine derivatives

, Japan, , ,

合成路线：1 步

591-27-5

74-96-4

91-68-9

反应条件：

1.1 Reagents: Sodium carbonate Solvents: Ethanol ; 72 h, rt

参考文献：

A benzothiazole-rhodol based luminophor: ESIPT-induced AIE and an application for detecting Fe2+ ion

Guan, Jianping; Tu, Qin; Chen, Long; Yuan, Mao-Sen; Wang, Jinyi, Spectrochimica Acta, 2019, 220,

合成路线：1 步

591-27-5

75-03-6

91-68-9

反应条件：

1.1 Reagents: Potassium carbonate ; 2 h, 100 °C

参考文献：

Fragmentation of deuterated rhodamine B derivates by laser and collisional activation in an FT-ICR mass spectrometer

Peters, Jonathan; Clemen, Martin; Grotemeyer, Juergen, Analytical and Bioanalytical Chemistry, 2013, 405(22), 7061-7069

合成路线：1 步

591-27-5

74-96-4

91-68-9

反应条件：

1.1 Reagents: Sodium carbonate Solvents: Ethanol ; 72 h, 26 °C

参考文献：

Synthesis of 2-(5-methyl-1,3,4-oxadiazole-2-yl)-6-diethylaminofluoran

Ge, Qiao-hua; Xiang, Bin; Gao, Jian-rong; Shen, Wei-qing; Cheng, Shui-liang, Zhejiang Gongye Daxue Xuebao, 2006, 34(5), 498-501

3-羟基-N,N-二乙基苯胺(91-68-9)上下游

4-(二乙氨基)-水杨醛 9-(二乙氨基)螺[12H-苯并[A]占吨-12,1’(3’H)-异苯并呋喃]-3’-酮香豆素 7 香豆素-35 3-氰基-7-(二乙氨基)香豆素 2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine 2,4-双[4-(二乙氨基)-2-羟基苯基]方酸

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3-羟基-N,N-二乙基苯胺(91-68-9)参考资料

Reaxys RN：

908212

Beilstein：

13,408

PubChem CID：

7062

3-羟基-N,N-二乙基苯胺(91-68-9) MSDS

基础信息

Name:	3-Diethylaminophenol granulated 99% Material Safety Data Sheet
Synonym:	N,N-Diethyl-3-aminophenol; Phenol, m-(diethylamino)-; m-(Diethylamino)phenol; Phenol, 3-(diethylamino)
CAS:	91-68-9

Section 1 - Chemical Product ? MSDS Name:3-Diethylaminophenol granulated 99% Material Safety Data Sheet
Synonym:N,N-Diethyl-3-aminophenol; Phenol, m-(diethylamino)-; m-(Diethylamino)phenol; Phenol, 3-(diethylamino)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
91-68-9	3-Diethylaminophenol, granulated	99	202-090-9

Hazard Symbols: T
Risk Phrases: 25

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Toxic if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Prolonged exposure can cause damage to the eyes, severe irritation or burns.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use only under a chemical fume hood.
Exposure Limits CAS# 91-68-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Pellets
Color: purple
Odor: Malodorous
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 170 deg C @ 15.00mm Hg
Freezing/Melting Point: 70 - 73 deg C
Autoignition Temperature: Not applicable.
Flash Point: 141 deg C ( 285.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble in ligroin
Specific Gravity/Density:
Molecular Formula: C10H15NO
Molecular Weight: 165.23

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 91-68-9: SL0550500 LD50/LC50:
Not available.
CAS# 109-89-7: Oral, rat: LD50 = 540 mg/kg. The toxicity of this product is partially based on the hazards associated with Diethylamine (CAS# Carcinogenicity:
3-Diethylaminophenol, granulated - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
Safety Phrases:
S 22 Do not breathe dust.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 91-68-9: 2
Canada
CAS# 91-68-9 is listed on Canada's NDSL List.
CAS# 91-68-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 91-68-9 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A