33401-74-0 ((S)-(-)-3-羟基-3-苯基丙酸乙酯,Ethyl (3S)-3-hydroxy-3-phenylpropanoate)

快速询单

结构式：

(S)-(-)-3-羟基-3-苯基丙酸乙酯MOL文件

CAS号：

33401-74-0

中文名称：

(S)-(-)-3-羟基-3-苯基丙酸乙酯

英文名称：

Ethyl (3S)-3-hydroxy-3-phenylpropanoate

分子式：

C₁₁H₁₄O₃

分子量：

194.227063655853

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)名称与标识符

名称

中文别名：

(S)-(-)-3-羟基-3-苯基丙酸乙酯;(S)-3-羟基-3-苯丙酸乙酯;(S)-3-羟基-3-苯基丙酸乙酯;（S）-3-羟基-3-苯基羧酸乙酯;

英文别名：

(S)-Ethyl 3-hydroxy-3-phenylpropanoate;(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate;(?)-Ethyl (S)-3-hydroxy-3-phenylpropionate;3-hydroxy-3-phenylpropionic acid ethyl ester;ETHYL (S)-3-HYDROXY-3-PHENYLPROPANOATE;3S4J5C6Q4Z;Z1255372825;BS-27961;Ethyl (S)-3-phenylhydracrylate;(S)-Ethyl3-Hydroxy-3-phenylpropanoate;3-hydroxy-3-phenyl-propionic acid ethyl ester;Ethyl 3-phenylhydracrylate, (-)-;CS-0204588;(S)-(-)-3-Hydroxy-3-Phenylpropionic Acid Ethyl Ester;ethyl (3S)-3-hydroxy-3-phenylpropanoate;UNII-3S4J5C6Q4Z;(S)-ethyl 3-phenylhydracrylate;(S)-(-)-Ethyl-3-hydroxy 3-phenylpropionate;AKOS015901796;SCHEMBL7056947;MFCD00216721;EN300-121105;Q27257964;BENZENEPROPANOIC ACID, .BETA.-HYDROXY-, ETHYL ESTER, (.BETA.S)-;ethyl (S)-3-hydroxy-3-phenylpropionate;(3S)-3-Hydroxy-3-phenylpropionic acid ethyl ester;33401-74-0;Hydracrylic acid, 3-phenyl-, ethyl ester, (S)-;Benzenepropanoic acid, beta-hydroxy-, ethyl ester, (betaS)-;AC-26773;E84354;DVIBDQWVFHDBOP-JTQLQIEISA-N;Ethyl 3-phenylhydracrylate, (S)-;A5954;DB-001149;

标识符

MDL：

MFCD00216721

InChIKey：

DVIBDQWVFHDBOP-JTQLQIEISA-N

Inchi：

1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1

SMILES：

O[C@H](C1C=CC=CC=1)CC(=O)OCC

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)物化性质

实验特性

LogP : 1.67320
PSA : 46.53000
折射率 : n20/D 1.510
沸点 : 315.3 °C at 760 mmHg
闪点 : 132.6 °C
颜色与性状 : 无可用
溶解性 : 无可用
密度 : 1.119

计算特性

精确分子量 : 194.09400
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 194.094
重原子数量 : 14
复杂度 : 173
同位素原子数量 : 0
确定原子立构中心数量 : 1
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） : 1.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 46.5A^2

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)安全信息

WGK Germany： 3
安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)国际标准相关数据

EINECS：

222-269-5

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)推荐厂家更多厂家(10)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
深圳振强生物技术有限公司	13670046396 86-755-66853366	颜经理	2851296953	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单
南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	询单
南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
江苏华荣生物科技有限公司		朱伟杰		询单

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0)上下游

R-氟西汀甲基（S）-3-羟基-3-苯基丙酸酯盐酸托莫西汀 3-羟基-3-丙酸乙酯

(S)-(-)-3-羟基-3-苯基丙酸乙酯(33401-74-0) MSDS

基础信息

Name:	(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate Material Safety Data Sheet
Synonym:
CAS:	33401-74-0

Section 1 - Chemical Product ? MSDS Name:(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
33401-74-0	(-)-Ethyl (S)-3-hydroxy-3-phenylpropio		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# 33401-74-0: 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: 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: C11H14O3
Molecular Weight: 194.23

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# 33401-74-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate - 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: 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# 33401-74-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33401-74-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33401-74-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A