乳酸孟酯

乳酸孟酯 基本信息
CAS号 59259-38-0 分子式 C13H24O3
分子量 228.32800 精确质量  228.17300
PSA  46.53000 LogP  2.37120

等价的CAS号:

17162-29-7,61597-98-6,59259-38-0

基本信息 展开↓

CAS号:
59259-38-0
3D弹球模型:
立即前往扯扯看
分子式:
C13H24O3
分子量:
228.32800
中文名称:
乳酸孟酯
英文名称:
(R)-2-Hydroxypropionic Acid (1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl Ester
中文别名:
乳酸孟酯;
L-乳酸薄荷酯;
(-)-薄荷醇乳酸酯;
2-羟基丙酸-5-甲基-2-异丙基环己酯;
(R)-2-羟基丙酸-(1R,2S,5R)-2-异丙基-5-甲基环己酯
英文别名:
(R)-2-Hydroxypropionic Acid (1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl Ester;
(-)-Menthyl lactate
精确分子量/精确质量:
228.17300
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:
MFCD00067052
EINECS:
261-678-3
InChI:
InChI=1/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10-,11+,12-/m1/s1

物化性质展开↓

外观与性状:
白色固体带有一种微弱的薄荷气味
密度:
0.99g/cm3
熔点:
40 °C
沸点:
80 - 85 (1 torr)
闪点:
128 °C
水溶解性:
SLIGHTLY SOLUBLE
折射率:
-80 ° (C=5, MeOH)
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:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):40

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):128

9.       比旋光度(º):-74(C=10, 乙醇)

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:微溶于水。

安全信息展开↓

海关代码:
2918110000
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

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: (-)-Menthyl lactate 98% Material Safety Data Sheet
Synonym: Lactic acid menthyl ester
CAS: 59259-38-0
Section 1 - Chemical Product   MSDS Name:(-)-Menthyl lactate 98% Material Safety Data Sheet
Synonym:Lactic acid menthyl ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
59259-38-0 (-)-Menthyl lactate 98 261-678-3
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.
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. 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 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:
Sweep up, then place into a suitable container for disposal. 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. Avoid contact with eyes, skin, and clothing. 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# 59259-38-0: 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: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 40.00 - 42.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: 165 deg C ( 329.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: slightly soluble
Specific Gravity/Density: Not available.
Molecular Formula: C13H24O3
Molecular Weight: 228.33

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, acids, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 59259-38-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-Menthyl lactate - 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# 59259-38-0: No information available.
Canada
CAS# 59259-38-0 is listed on Canada's DSL List.
CAS# 59259-38-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59259-38-0 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: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:63.47

2、   摩尔体积(m3/mol):228.4

3、   等张比容(90.2K):553.5

4、   表面张力(dyne/cm):34.4

5、   极化率10-24cm3):25.16

计算化学数据


1、   疏水参数计算参考值(XlogP):3.3

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、   拓扑分子极性表面积(TPSA):46.5

6、   重原子数量:16

7、   表面电荷:0

8、   复杂度:237

9、   同位素原子数量:0

10、   确定原子立构中心数量:4

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便