79322-76-2 (甲基-4-（1-羟乙基）苯甲酸,Methyl 4-(1-hydroxyethyl)benzoate)

快速询单

结构式：

甲基-4-（1-羟乙基）苯甲酸MOL文件

CAS号：

79322-76-2

中文名称：

甲基-4-（1-羟乙基）苯甲酸

英文名称：

Methyl 4-(1-hydroxyethyl)benzoate

分子式：

C₁₀H₁₂O₃

分子量：

180.200483322144

甲基-4-（1-羟乙基）苯甲酸(79322-76-2)名称与标识符

名称

中文别名：

甲基4-(1-羟乙基)苯甲酸;甲基-4-（1-羟乙基）苯甲酸;

英文别名：

Methyl 4-(1-hydroxyethyl)benzoate;METHYL 4-(1-HYDROXYETHYL)BENZOATE, TECH., 90;84851-56-9;racemic methyl 4-(1-hydroxyethyl)benzoate;FT-0709625;CS-0154105;Methyl 4-(1-hydroxyethyl)benzoate #;AKOS016013043;Benzoic acid, 4-(1-hydroxyethyl)-, methyl ester;CEA68171;SY122925;FT-0628577;4-(1-hydroxyethyl)benzoic acid methyl ester;79322-76-2;BS-17636;SCHEMBL1516780;Z816113634;MFCD00216476;methyl-4-(1-hydroxyethyl)benzoate;4-(1-hydroxy-ethyl)-benzoic acid methyl ester;EN300-55837;caprylichydrazide;

标识符

InChIKey：

KAXLTAULVFFCNL-UHFFFAOYSA-N

Inchi：

1S/C10H12O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3

SMILES：

OC(C)C1C=CC(C(=O)OC)=CC=1

甲基-4-（1-羟乙基）苯甲酸(79322-76-2)物化性质

实验特性

LogP : 1.52650
PSA : 46.53000
折射率 : 1.5430 (estimate)
沸点 : 148-152°C/1mm Hg
熔点 : 52°C
闪点 : 125.3°C
颜色与性状 : 无可用
溶解性 : 无可用
密度 : 1.1272 (rough estimate)

计算特性

精确分子量 : 180.07900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 180.078644
重原子数量 : 13
复杂度 : 171
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 : 1
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） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 46.5

甲基-4-（1-羟乙基）苯甲酸(79322-76-2)海关数据

海关编码：

2918199090

海关数据：

中国海关编码：

2918199090

概述：

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、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:9.0%. 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

Summary：

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

甲基-4-（1-羟乙基）苯甲酸(79322-76-2)上下游

对甲酰基苯甲酸甲酯 Methylene, oxo- 4-乙酰基苯甲酸甲酯 1-(4-溴苯基)乙醇甲基溴化镁 4-(1-羟基乙基)苯甲酸甲酯 4-溴苯乙酮

甲基-4-（1-羟乙基）苯甲酸(79322-76-2) MSDS

基础信息

Name:	Ethyl 4-Methoxycarbonylbenzoylacetate Material Safety Data Sheet
Synonym:	None
CAS:	79322-76-2

Section 1 - Chemical Product ? MSDS Name:Ethyl 4-Methoxycarbonylbenzoylacetate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
79322-76-2	Ethyl 4-Methoxycarbonylbenzoylacetate	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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
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:
No information found.

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:
Never give anything by mouth to an unconscious person. Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. 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. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 79322-76-2: 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:
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 51.00 - 53.00 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: slightly soluble
Specific Gravity/Density:
Molecular Formula: C13H14O5
Molecular Weight: 250.25

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 79322-76-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-Methoxycarbonylbenzoylacetate - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 79322-76-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79322-76-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79322-76-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A