3-甲氧基-4-叔丁基苯甲酸

3-甲氧基-4-叔丁基苯甲酸 基本信息
CAS号 79822-46-1 分子式 C12H16O3
分子量 208.25400 精确质量 　208.11000
PSA 　46.53000 LogP 　2.69090
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
79822-46-1
3D弹球模型：
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分子式：
C12H16O3
分子量：
208.25400
中文名称：
3-甲氧基-4-叔丁基苯甲酸
英文名称：
4-tert-Butyl-3-methoxybenzoic acid
中文别名：
3-甲氧基-4-叔丁基苯甲酸;
mopso sodium sigmaultra;
MOPSO, sodium salt 3-(N-Morpholino)-2-hydroxypropanesulfonic acid, sodium salt;
MOPSO sodium salt;
3-(N-Morpholino)-2-hydrixypropanesulfonic acid,Sodium Salt;
3-(N-Morpholino)-2-hydroxypropanesulfonic acid,Sodium Salt;
sodium 2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonate;
3-(N-Morpholino)-2-hydroxypropanesuIfonic acid, Sodium Salt;
MOPS0-Na;
3-morpholino-2-hydroxypropanesulfonic acid sodium salt;
UNII-8U27U3RIN4;
(6-Amino-1-hydroxyhexylidene)diphosphonic acid;
Phosphonic acid, (6-amino-1-hydroxyhexylidene)bis-;
(6-amino-1-hydroxyhexane-1,1-diyl)bis(phosphonic acid);
Neridronic acid;
Cis-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthalenamine Hcl;
Sertraline Racemate;
Intermediate Of Sertraline;
Sertraline Racemate HCl;
4-BOC-piperidone;
N-Boc-4-piperidone;
N-tert-Butoxycarbonyl-4-piperidone
英文别名：
4-tert-Butyl-3-methoxybenzoic acid;
4-t-Butyl-3-methoxybenzoic acid;
3-Methoxy-4-t-butylbenzoic acid;
4-tert-Butyl-3-methoxy-benzoesaeure;
3-Methoxy-4-tert-butylbenzoic acid
精确分子量/精确质量：
208.11000
极性分子表面积/PSA：
46.53000
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。
InChI：
InChI=1/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14)

物化性质展开↓

外观与性状：
白色固体
密度：
1.08g/cm3
熔点：
150-152ºC
沸点：
334.7ºC at 760 mmHg
闪点：
125.2ºC
折射率：
1.516

安全信息展开↓

海关代码：
2918990090
危险类别码：
R36/37/38
安全说明：
26-36/37/39
危险标志：
Xi

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    1-tert-butyl-2-methoxy-4-methylbenzene

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    3-甲氧基-4-叔丁基苯甲酸

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    3-甲氧基-4-叔丁基苯甲酸

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    3-甲氧基-4-叔丁基苯甲酸

MSDS 展开↓

Name: 4-tert-Butyl-3-methoxybenzoic acid Material Safety Data Sheet
Synonym: None Known
CAS: 79822-46-1
Section 1 - Chemical Product   MSDS Name:4-tert-Butyl-3-methoxybenzoic acid Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
79822-46-1 4-tert-Butyl-3-methoxybenzoic acid ca. 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
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 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 79822-46-1: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150-152 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: Soluble.
Specific Gravity/Density:
Molecular Formula: C12H16O3
Molecular Weight: 208.26
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
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# 79822-46-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-tert-Butyl-3-methoxybenzoic 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 79822-46-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79822-46-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79822-46-1 is not listed on the TSCA inventory.
It is for research and development use only.

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%

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