氢醌-О,О'-二乙酸

氢醌-О,О'-二乙酸 基本信息
CAS号 2245-53-6 分子式 C10H10O6
分子量 226.18300 精确质量  226.04800
PSA  93.06000 LogP  0.61340

基本信息 展开↓

CAS号:
2245-53-6
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分子式:
C10H10O6
分子量:
226.18300
中文名称:
氢醌-О,О'-二乙酸
英文名称:
HYDROQUINONE-O,O'-DIACETIC ACID
中文别名:
氢醌-О,О'-二乙酸;
对苯二酚-O,O'-二乙酸;
氢醌-O,O'-二乙酸;
氢醌-O,O’-二乙酸
英文别名:
HYDROQUINONE-O,O'-DIACETIC ACID;
q-linker;
Hydroquinone-O,O′-diacetic acid;
benzene-1,4-dioxydiacetic acid;
HYDROQUINONE-2,2'-DIACETIC ACID;
2,2'-(1,4-Phenylenebis(oxy))diacetic acid;
hydroquinone-O,O'-dioxydiacetic acid;
Hydroquinone-O,O'-diacetic acid
精确分子量/精确质量:
226.04800
极性分子表面积/PSA:
93.06000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00016816
EINECS:
218-834-0
BRN:
1984454
InChI:
InChI=1/C10H10O6/c11-9(12)5-15-7-1-2-8(4-3-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-2

物化性质展开↓

密度:
1.416g/cm3
熔点:
248-251 °C
沸点:
449.7ºC at 760 mmHg
闪点:
181.3ºC
蒸汽压:
7.13E-09mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物接触

其它信息:

1.      性状:固体

2.      密度(g/L,25ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):248-251

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 762mmHg):未确定

7.      折射率nD20):未确定

8.      闪点(ºC未确定

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,25ºC):未确定

12.   饱和蒸气压(kPa,20ºC):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:未确定

安全信息展开↓

海关代码:
2918990090
危险类别码:
36/37/38
安全说明:
S37/39-S26
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

合成路线查看所有的合成路线

  • 5897-78-9

    ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenoxy]acetate

  • ~93%

  • 2245-53-6

    氢醌-О,О'-二乙酸

  • 105-36-2

    溴代乙酸乙酯

  • +

  • 123-31-9

    1,4-苯二酚

  • ~92%

  • 2245-53-6

    氢醌-О,О'-二乙酸

  • 79-11-8

    氯乙酸

  • +

  • 123-31-9

    1,4-苯二酚

  • ~88%

  • 2245-53-6

    氢醌-О,О'-二乙酸

化学图谱

  1. 氢醌-O,O′-二醋酸红外图谱(IR1)

  2. 氢醌-O,O′-二醋酸质谱(MS)

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毒理性展开↓

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: Hydroquinone-O O -diacetic acid Material Safety Data Sheet
Synonym:
CAS: 2245-53-6
Section 1 - Chemical Product   MSDS Name:Hydroquinone-O O -diacetic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2245-53-6 Hydroquinone-O,O'-diacetic acid 218-834-0
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2245-53-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 248 - 251 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10O6
Molecular Weight: 226.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2245-53-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Hydroquinone-O,O'-diacetic acid - Not listed by ACGIH, IARC, or NTP.

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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2245-53-6: No information available.
Canada
CAS# 2245-53-6 is listed on Canada's NDSL List.
CAS# 2245-53-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2245-53-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. 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展开↓

分子结构数据


1   摩尔折射率:52.00

2   摩尔体积(m3/mol):159.7

3   等张比容(90.2K):443.7

4   表面张力(dyne/cm):59.6

5 极化率(10-24cm3):20.61

 

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:6

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积93.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:218

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

上下游相关产品

上游产品

更多
  • 80791-19-1

    methyl 2-[4-(2-methoxy-2-oxoethoxy)phenoxy]acetate

  • 79-11-8

    氯乙酸

  • 123-31-9

    1,4-苯二酚

  • 5897-78-9

    ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenoxy]acetate

  • 105-36-2

    溴代乙酸乙酯

下游产品

更多
  • 1889-01-6

    2-[4-(2-chloro-2-oxoethoxy)phenoxy]acetyl chloride

  • 80791-19-1

    methyl 2-[4-(2-methoxy-2-oxoethoxy)phenoxy]acetate

  • 5897-78-9

    ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenoxy]acetate

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