硬脂酸缩水甘油基酯

硬脂酸缩水甘油基酯 基本信息
CAS号 7460-84-6 分子式 C21H40O3
分子量 340.54100 精确质量  340.29800
PSA  38.83000 LogP  6.18990

基本信息 展开↓

CAS号:
7460-84-6
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分子式:
C21H40O3
分子量:
340.54100
中文名称:
硬脂酸缩水甘油基酯
英文名称:
Glycidyl Stearate
中文别名:
硬脂酸缩水甘油基酯;
缩水甘油酯硬脂酸
英文别名:
Glycidyl Stearate;
oxiran-2-ylmethyl octadecanoate
精确分子量/精确质量:
340.29800
极性分子表面积/PSA:
38.83000
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。
InChI:
The Key: OUQGOXCIUOCDNN-UHFFFAOYSA-N

物化性质展开↓

密度:
0.93g/cm3
熔点:
53ºC
沸点:
193ºC / 1mmHg
闪点:
161.8ºC
折射率:
1.462
存储条件/存储方法:

密封于阴凉干燥环境

稳定性相关:

如果遵照规格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):53

5.       沸点(ºC,常压):193/ 1mmHg

6.       沸点(ºC,5.2kPa):  无可用

7.       折射率:  无可用

8.       闪点(ºC):  无可用

9.       比旋光度(º):无可用

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:
2915709000
RTECS号:
WI3500000

合成路线查看所有的合成路线

  • 822-16-2

    硬脂酸钠

  • +

  • 106-89-8

    环氧氯丙烷

  • 7460-84-6

    硬脂酸缩水甘油基酯

  • 556-52-5

    (±)-环氧丙醇

  • +

  • 112-76-5

    十八烷酰氯

  • 7460-84-6

    硬脂酸缩水甘油基酯

  • 6289-31-2

    硬脂酸烯丙酯

  • 7460-84-6

    硬脂酸缩水甘油基酯

化学图谱

  1. 缩水甘油酯硬脂酸红外图谱(IR1)

  2. 缩水甘油酯硬脂酸红外图谱(IR2)

  3. 缩水甘油酯硬脂酸质谱(MS)

  4. 缩水甘油酯硬脂酸核磁图(13CNMR)

  5. 缩水甘油酯硬脂酸核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WI3500000
CHEMICAL NAME :
Stearic acid, 2,3-epoxypropyl ester
CAS REGISTRY NUMBER :
7460-84-6
BEILSTEIN REFERENCE NO. :
0224859
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C21-H40-O3
MOLECULAR WEIGHT :
340.61
WISWESSER LINE NOTATION :
T3OTJ B1OV18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg/5W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - facilitates action of known carcinogen
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
52 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
52 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
500 mg/kg
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 6,235,1951 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,187,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,187,1976 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987
毒理学数据:

试验方法:皮下
摄入剂量: 2500 mg/kg/5W-I
测试对象:啮齿动物-
毒性类型:瘤
毒性作用:促进行动已知的致癌物质

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Stearic Acid Glycidyl Ester
    Portland OR
    Synonym        2,3-Epoxy-1-propanol Stearate    
    Chemical Formula        C17H35COOCH2C2H3O    
    CAS Number        7460-84-6    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Stearic Acid Glycidyl Ester        7460-84-6        -------------        This chemical is classified as        Not available.    
    a possible carcinogen. There
    is no acceptable exposure limit
    for a carcinogen.

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Possible carcinogen.    
    (sufficient evidence in animals, no adaquate data in humans)
    Tumorigenic: Rat (subcutaneous) 2500 mg/kg/5W-I. Equivocal tumorigenic by RTECS criteria.
    Tumorigenic: Mouse (subcutaneous) 52 mg/kg/26W-I. Equivocal tumorigenic by RTECS criteria.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with    
    running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the
    irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
    clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
    Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
    was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
    show the chemical label. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flash Points        Flammable Limits    
    Not available.        Not available.    
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Continued on Next Page
    Stearic Acid Glycidyl Ester
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    

Section VI.        Accidental Release Measures    
    Spill Cleanup        Harmful material.    
    Instructions        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a    
    shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    POSSIBLE CARCINOGEN. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in
    Handling and Storage
    use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In
    Information
    case of insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show
    the label when possible. Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        This chemical is classified as a possible carcinogen. There is no acceptable exposure limit for a carcinogen.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        White crystalline powder.        Solubility    
    Not available.
    Not available.
    Specific Gravity
    Molecular Weight        340.55        Partition Coefficient    
    Not available.
    Boiling Point        Vapor Pressure    
    Not available.        Not available.    
    51 to 53°C (123.8 to 127.4°F)        Not available.    
    Melting Point        Vapor Density    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        WI3500000    
    Routes of Exposure        Eye contact. Inhalation. Ingestion.    
    Toxicity Data        Not available.    
    CARCINOGENIC EFFECTS : Possible carcinogen.
    Chronic Toxic Effects
    (sufficient evidence in animals, no adaquate data in humans)
    Tumorigenic: Rat (subcutaneous) 2500 mg/kg/5W-I. Equivocal tumorigenic by RTECS criteria.
    Tumorigenic: Mouse (subcutaneous) 52 mg/kg/26W-I. Equivocal tumorigenic by RTECS criteria.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Continued on Next Page
    Stearic Acid Glycidyl Ester

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not available.    


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:100.68

2   摩尔体积m3/mol365.9

3   等张比容(90.2K):889.8

4   表面张力dyne/cm34.9

5   极化率10-24cm339.91

计算化学数据


1.疏水参数计算参考值(XlogP):8.2

2.氢键供体数量:0

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:无

6.拓扑分子极性表面积38.8

7.重原子数量:24

8.表面电荷:0

9.复杂度:291

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:1

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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