306935-85-3 (4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸,4-(2-Oxo-1,2-diphenylethoxy)butanoic Acid)

快速询单

结构式：

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸MOL文件

CAS号：

306935-85-3

中文名称：

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸

英文名称：

4-(2-Oxo-1,2-diphenylethoxy)butanoic Acid

分子式：

C₁₈H₁₈O₄

分子量：

298.333125591278

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸(306935-85-3)名称与标识符

名称

中文别名：

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸;

英文别名：

Butanoic acid,4-(2-oxo-1,2-diphenylethoxy)-;4-OXO-4-(2-OXO-1,2-DIPHENYLETHOXY)BUTANOIC ACID;Benzoin hemisuccinate;Butanoic acid, 4-(2-oxo-1,2-diphenylethoxy)-;AKOS025116787;306935-85-3;4-(2-oxo-1,2-diphenylethoxy)butanoic acid;FS-6420;SCHEMBL6205343;MFCD01313222;

标识符

MDL：

MFCD01313222

InChIKey：

XGODCRXAWGHJKX-UHFFFAOYSA-N

Inchi：

1S/C18H18O4/c19-16(20)12-7-13-22-18(15-10-5-2-6-11-15)17(21)14-8-3-1-4-9-14/h1-6,8-11,18H,7,12-13H2,(H,19,20)

SMILES：

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

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸(306935-85-3)物化性质

实验特性

LogP : 3.49200
PSA : 63.60000
折射率 : 1.585
沸点 : 513.8°C at 760 mmHg
闪点 : 187.6°C
密度 : 1.266

计算特性

精确分子量 : 298.12100
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 8
同位素质量 : 298.12050905g/mol
重原子数量 : 22
复杂度 : 354
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） : 3
拓扑分子极性表面积 : 63.6Å²

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸(306935-85-3)安全信息

安全术语： S26;S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：Irritant

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸(306935-85-3)海关数据

海关编码：

2918990090

海关数据：

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

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%

4-氧代-4-(2-氧代-1,2-二苯乙氧基)丁酸(306935-85-3) MSDS

基础信息

Name:	4-Oxo-4-(2-oxo-1 2-diphenylethoxy)butanoic acid 95+% Material Safety Data Sheet
Synonym:	Benzoin hemisuccinat
CAS:	306935-85-3

Section 1 - Chemical Product ? MSDS Name:4-Oxo-4-(2-oxo-1 2-diphenylethoxy)butanoic acid 95+% Material Safety Data Sheet
Synonym:Benzoin hemisuccinat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306935-85-3	4-Oxo-4-(2-oxo-1,2-diphenylethoxy)buta	95+%	unlisted

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:
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.
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.
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# 306935-85-3: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C18H18O4
Molecular Weight: 298

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# 306935-85-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Oxo-4-(2-oxo-1,2-diphenylethoxy)butanoic 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# 306935-85-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306935-85-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306935-85-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A