四氢吡喃-4-乙酸

四氢吡喃-4-乙酸 基本信息
CAS号 85064-61-5 分子式 C7H12O3
分子量 144.16800 精确质量 　144.07900
PSA 　46.53000 LogP 　0.88770
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
85064-61-5
3D弹球模型：
立即前往扯扯看
分子式：
C7H12O3
分子量：
144.16800
中文名称：
四氢吡喃-4-乙酸
英文名称：
Tetrahydropyran-4-yl-acetic acid
中文别名：
四氢吡喃-4-乙酸;
2-(4-四氢吡喃基)乙酸;
四氢吡喃-4-基-乙酸
英文别名：
Tetrahydropyran-4-yl-acetic acid;
2-(oxan-4-yl)acetic acid
精确分子量/精确质量：
144.07900
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：
MFCD01631204
InChI：
InChI=1/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9)/p-1

物化性质展开↓

外观与性状：
无色晶体
密度：
1.111 g/cm3
熔点：
48-50°C
沸点：
285.1ºC at 760 mmHg
闪点：
119.2ºC
其它信息：

1.    熔点（ºC）:48~50

安全信息展开↓

海关代码：
2932999099
危险类别码：
R36/37/38
安全说明：
S26-S36/37/39-S22
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 14390-06-8

    14390-06-8

  • →

  • 85064-61-5

    四氢吡喃-4-乙酸

  • 854697-63-5

    tetrahydropyran-4-yl-malonic acid diethyl ester

  • →

  • 85064-61-5

    四氢吡喃-4-乙酸

  • 125552-89-8

    4-溴甲基四氢吡喃

  • →

  • 85064-61-5

    四氢吡喃-4-乙酸

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      Tetrahydropyran-4-yl-acetic acid    
    Synonyms:        Tetrahydropyran-4-acetic acid; Tetrahydro-2H-pyran-4-yl-acetic acid    
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H318:        Causes serious eye damage    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
Section 3. Composition/information on ingredients.
    Ingredient name:        Tetrahydropyran-4-yl-acetic acid    
    CAS number:        85064-61-5    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C7H12O3
    Molecular weight: 144.2
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2932999099

概述：
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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：35.55

2、  摩尔体积（cm3/mol）：129.6

3、  等张比容（90.2K）：330.7

4、  表面张力（dyne/cm）：42.2

5、  极化率（10-24cm3）：14.09

计算化学数据

1.疏水参数计算参考值（XlogP）:0.3

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:2

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:10

8.表面电荷:0

9.复杂度:116

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

上下游相关产品

上游产品

更多

  • 156002-64-1

    2-(四氢-2H-吡喃-4-基)乙酸甲酯

  • 103260-44-2

    四氢吡喃-4-基-乙酸乙酯

  • 29943-42-8

    四氢吡喃酮

  • 867-13-0

    膦酰乙酸三乙酯

  • 130312-00-4

    (四氢吡喃-4-亚基)乙酸乙酯

下游产品

更多

  • 4677-18-3

    2-四氢吡喃-4-乙醇

  • 40500-05-8

    四氢吡喃-4-乙酰氯

  • 130290-79-8

    4-氨甲基四氢吡喃

  • 929556-48-9

    Benzyl tetrahydro-2H-pyran-4-ylacetate

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP