乙二醇单硬脂酸酯

乙二醇单硬脂酸酯 基本信息
CAS号 111-60-4 分子式 C20H40O3
分子量 328.53000 精确质量 　328.29800
PSA 　46.53000 LogP 　5.78340
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
111-60-4
3D弹球模型：
立即前往扯扯看
分子式：
C20H40O3
分子量：
328.53000
中文名称：
乙二醇单硬脂酸酯
英文名称：
2-Hydroxyethyl stearate
中文别名：
乙二醇单硬脂酸酯;
十八酸-2-羟基乙基酯;
硬脂酸乙二酯
英文别名：
2-Hydroxyethyl stearate;
ETHYLENE GLYCOL MONOSTEARATE
精确分子量/精确质量：
328.29800
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。
EINECS：
203-886-9
InChI：
The Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

将0.95mol硬脂酸、1mol乙二醇和催化剂量的硫酸投入反应釜中。加热回流,通过分水器不断把生成的水分出,反应3～4h后,取样测酸值,当酸值降低到6mg KOH/g以下时酯化反应完毕,再将料液打入中和釜,中和至酸值为4mgKOH/g。放掉碱液,再用双氧水脱色,冷却结晶,离心过滤后干燥,包装即得成品。 CH2OHCH2OH+C17H35COOHCH2OOCC17H35CH2OH+H2O

合成制备方法

将0.95mol硬脂酸、1mol乙二醇和催化剂量的硫酸投入反应釜中。加热回流，通过分水器不断把生成的水分出，反应3～4h后，取样测酸值，当酸值降低到6mg KOH/g以下时酯化反应完毕，再将料液打入中和釜，中和至酸值为4mgKOH/g。放掉碱液，再用双氧水脱色，冷却结晶，离心过滤后干燥，包装即得成品。

CH2OHCH2OH+C17H35COOHCH2OOCC17H35CH2OH+H2O

用途简介

可用作乳化剂、分散剂、增溶剂、润滑剂、柔软剂、消泡剂、抗静电剂和珠光剂,应用于金属加工、纤维加工、化妆品、洗涤剂及药物生产中。

用途

可用作乳化剂、分散剂、增溶剂、润滑剂、柔软剂、消泡剂、抗静电剂和珠光剂，应用于金属加工、纤维加工、化妆品、洗涤剂及药物生产中。

物化性质展开↓

外观与性状：
淡黄色蜡质片状
密度：
0.913 g/cm3
熔点：
55-60 °C
沸点：
149 °C
闪点：
240ºC
存储条件/存储方法：

稳定性相关：

具有良好的乳化、分散、润滑、柔软、抗静电和珠光性能。

其它信息：

1.     性状：为白色或奶油色固体

2.     密度（g/mL,20℃）：未确定

安全信息展开↓

海关代码：
2915709000
危险类别码：
R60
安全说明：
S24/25-S45-S36/37/39-S28-S27-S26-S53
RTECS号：
WI4100000
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。
S27:立刻除去所有污染衣物。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。
S24/25:防止皮肤和眼睛接触。
:
危险标志：
T

合成路线查看所有的合成路线

  • 107-21-1

    乙二醇

  • +

  • 57-11-4

    硬脂酸

  • →

    ~98%

  • 111-60-4

    乙二醇单硬脂酸酯

  • +

  • 627-83-8

    二硬脂酸乙二酯

  • 107-21-1

    乙二醇

  • +

  • 57-11-4

    硬脂酸

  • →

    ~78%

  • 111-60-4

    乙二醇单硬脂酸酯

  • 107-21-1

    乙二醇

  • +

  • 112-76-5

    十八烷酰氯

  • →

    ~68%

  • 111-60-4

    乙二醇单硬脂酸酯

化学图谱

  1. 乙二醇单硬脂酸酯红外图谱(IR2)

  2. 乙二醇单硬脂酸酯红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WI4100000
CHEMICAL NAME :
Stearic acid, 2-hydroxyethyl ester
CAS REGISTRY NUMBER :
111-60-4
BEILSTEIN REFERENCE NO. :
1794033
LAST UPDATED :
199706
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H40-O3
MOLECULAR WEIGHT :
328.60
WISWESSER LINE NOTATION :
Q2OV17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 1(2),1,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 32500 No. of Facilities: 1109 (estimated) No. of Industries: 13 No. of Occupations: 18 No. of Employees: 10112 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 32500 No. of Facilities: 5980 (estimated) No. of Industries: 42 No. of Occupations: 68 No. of Employees: 218214 (estimated) No. of Female Employees: 167909 (estimated)

MSDS 展开↓

Name: 2-Hydroxyethyl stearate 95% Material Safety Data Sheet
Synonym: Ethylene Glycol Stearate; Glycol Stearate
CAS: 111-60-4
Section 1 - Chemical Product   MSDS Name:2-Hydroxyethyl stearate 95% Material Safety Data Sheet
Synonym:Ethylene Glycol Stearate; Glycol Stearate
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
111-60-4 2-Hydroxyethyl stearate 95% 203-886-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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:
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:
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:
Use adequate ventilation to keep airborne concentrations low.
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. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
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: 149 deg C
Freezing/Melting Point: 57 - 59 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: insoluble
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 328.53
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, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 111-60-4: WI4100000 LD50/LC50:
CAS# 111-60-4: Draize test, rabbit, skin: 500 mg/24H Mild.
Carcinogenicity:
2-Hydroxyethyl stearate - Not listed by ACGIH, IARC, or NTP.
See actual entry in RTECS for complete information.
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 111-60-4: 1
United Kingdom Occupational Exposure Limits
United Kingdom Maximum Exposure Limits
Canada
CAS# 111-60-4 is listed on Canada's DSL List.
CAS# 111-60-4 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 111-60-4 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：2915709000

概述：
2915709000. 棕榈酸及其盐和酯、硬脂酸盐、酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 硬脂酸和软脂酸的含量
摘要/Summary：
2915709000. palmitic acid and its salts and esters. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. 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：98.01

2、  摩尔体积（cm3/mol）：359.6

3、  等张比容（90.2K）：869.3

4、  表面张力（dyne/cm）：34.1

5、  极化率（10-24cm3）：38.85

计算化学数据

1、  疏水参数计算参考值（XlogP）：7.8

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：19

5、  互变异构体数量：

6、  拓扑分子极性表面积（TPSA）：46.5

7、  重原子数量：23

8、  表面电荷：0

9、  复杂度：241

10、同位素原子数量：0

11、确定原子立构中心数量：0

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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  • 107-21-1

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  • 57-11-4

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