(S)-(-)-乳酸丙酯

(S)-(-)-乳酸丙酯 基本信息
CAS号 53651-69-7 分子式 C6H12O3
分子量 132.15800 精确质量  132.07900
PSA  46.53000 LogP  0.32040

等价的CAS号:

616-09-1,53651-69-7,129171-92-2,53651-70-0

基本信息 展开↓

CAS号:
53651-69-7
3D弹球模型:
立即前往扯扯看
分子式:
C6H12O3
分子量:
132.15800
中文名称:
(S)-(-)-乳酸丙酯
英文名称:
(S)-Propyl 2-hydroxypropanoate
中文别名:
(S)-(-)-乳酸丙酯;
L-乳酸丙酯;
2-Bromo-5-phenyl-1,3,4-thiadiazole;
2-octene, 1-bromo-, (2Z)-;
Desacetylvinblastineamide;
vindesine;
Polyquaternium-11;
3-Fluorophenacylbromide;
2'-Bromo-3'-fluoroacetophenone;
3-fluorophenacyl bromide;
L-tyrosine benzyl ester P-*toluenesulfonate;
Methyl (S)-(-)-3-hydroxybutyrate;
Acemetacine [INN-French];
Acemetacinum;
Acemetacinum [INN-Latin];
Acemix;
Aximeixin;
BRN 0501672;
Bay f 4975;
K 708;
K-708;
Rantudil;
Rheumibis;
TVX 3322;
UNII-5V141XK28X;
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid ester with glycolic acid;
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, carboxymethyl ester;
({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)acetic acid
英文别名:
(S)-Propyl 2-hydroxypropanoate;
propyl (2S)-2-hydroxypropanoate
精确分子量/精确质量:
132.07900
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。
贝尔斯坦号/MDL:
MFCD06658964
InChI:
InChI=1/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1

生产制备方法及用途展开↓

合成制备方法


由类似于糖的碳水化合物发酵生产的L(+)乳酸和正丙醇酯化而成

用途


 

    是优质的环保型高沸点溶剂,应用于油墨、涂料、香料和精细化学品的合成。

物化性质展开↓

外观与性状:
透明无色液体
密度:
1.024 g/cm3
熔点:
-14ºC
沸点:
174.2ºC at 760 mmHg
闪点:
62.7ºC
折射率:
1.427
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无色液体。

2.       相对密度(20℃,4℃):1.0035

3.       相对密度(25℃,4℃):0.981540

4.       熔点(ºC):-40

5.       沸点(ºC,常压):169.       沸点(ºC,5.2kPa):无可用

7.       常温折射率(n25):1.408740

8.       闪点(ºC):69

9.       常温折射率(n20):1.4172

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2918110000
危险类别码:
R66
安全说明:
39-26
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。
S39:佩戴眼/面防护装置。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 20279-43-0

    丙酮酸丙酯

  • 53651-69-7

    (S)-(-)-乳酸丙酯

  • +

  • 616-09-1

    乳酸丙酯

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: Propyl (S)-(-)-lactate Material Safety Data Sheet
Synonym:
CAS: 53651-69-7
Section 1 - Chemical Product   MSDS Name:Propyl (S)-(-)-lactate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
53651-69-7 Propyl (S)-(-)-lactate unlisted
Hazard Symbols: XI
Risk Phrases: 37 41 66

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to respiratory system. Risk of serious damage to eyes.
Repeated exposure may cause skin dryness or cracking.
Potential Health Effects
Eye:
Risk of serious damage to eyes.
Skin:
May cause 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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.
Keep under a nitrogen blanket.

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# 53651-69-7: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: 1.1mbar @20 deg C
Viscosity: 3.3 mPa.s @20 deg C
Boiling Point: 170 deg C
Freezing/Melting Point: -14 deg C
Autoignition Temperature: 390 deg C ( 734.00 deg F)
Flash Point: 69 deg C ( 156.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >170 deg C
Solubility in water: completely miscible
Specific Gravity/Density: 1.000
Molecular Formula: C6H12O3
Molecular Weight: 132.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases, water.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 53651-69-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Propyl (S)-(-)-lactate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Log Pow: 0.51

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 37 Irritating to respiratory system.
R 41 Risk of serious damage to eyes.
R 66 Repeated exposure may cause skin dryness or
cracking.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 39 Wear eye/face protection.
WGK (Water Danger/Protection)
CAS# 53651-69-7: No information available.
Canada
CAS# 53651-69-7 is listed on Canada's NDSL List.
CAS# 53651-69-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53651-69-7 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:2918110000

概述:
2918110000. 乳酸及其盐和酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2918110000. lactic acid, its salts and esters. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). 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:33.11

2、   摩尔体积(cm3/mol):128.9

3、   等张比容(90.2K):309.7

4、   表面张力(dyne/cm):33.2

5、   极化率(10-24cm3):13.12

计算化学数据


1.疏水参数计算参考值(XlogP):0.8

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积46.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:90.3

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

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