2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇

2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇 基本信息
CAS号 14049-11-7 分子式 C10H18O2
分子量 170.24900 精确质量  170.13100
PSA  29.46000 LogP  1.88100

等价的CAS号:

10448-31-4,14009-71-3,14049-11-7,22628-11-1,24048-52-0,39028-58-5,41720-62-1

基本信息 展开↓

CAS号:
14049-11-7
3D弹球模型:
立即前往扯扯看
分子式:
C10H18O2
分子量:
170.24900
中文名称:
2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇
英文名称:
2,2,6-TRIMETHYL-6-VINYLTETRAHYDRO-2H-PYRAN-3-OL
中文别名:
2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇;
3-羟基-2,2,6-三甲基-6-乙烯基四氢吡喃;
2,2,6-三甲基-6-乙烯基四氢吡喃-3-醇(异构体的混和物);
2,2,6-三甲基-6-乙烯基四氢-2H-吡喃-3-醇;
2,2,6-三甲基-6-乙烯基四氢吡喃-3-醇
英文别名:
2,2,6-TRIMETHYL-6-VINYLTETRAHYDRO-2H-PYRAN-3-OL;
2,2,6-trimethyl-6-vinyl-tetrahydro-2H-pyran-3-ol;
2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol;
tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol;
6-ethenyl-2,2,6-trimethyl-3-hydroxytetrahydropyran;
Pyranoid-linalool oxide;
2H-Pyran-3-ol,6-ethenyltetrahydro-2,2,6-trimethyl;
3-hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran;
Epoxylinalol;
cis-linalool oxide;
linalool oxide pyranoside;
2,2,6-Trimethyl-6-vinyltetranhydro-2H-pyran-3-ol;
3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran;
2,2,6,6-TETRAMETHYL-4-PIPERIDINOL;
2,2,6-trimethyl-6-ethenyltetrahydro-2H-pyran-3-ol;
2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-vinyl
精确分子量/精确质量:
170.13100
极性分子表面积/PSA:
29.46000
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:
237-889-1
InChI:
The Key: BCTBAGTXFYWYMW-HTLJXXAVSA-N

物化性质展开↓

密度:
0.988g/cm3
沸点:
224.2ºC at 760mmHg
闪点:
76.5ºC
其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2932999099

合成路线查看所有的合成路线

  • 67674-42-4

    2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate

  • ~99%

  • 14049-11-7

    2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇

  • 78-70-6

    芳樟醇

  • ~27%

  • 15249-35-1

    5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol

  • +

  • 14049-11-7

    2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇

  • 78-70-6

    芳樟醇

  • ~21%

  • 60047-17-8

    氧化芳樟醇

  • +

  • 14049-11-7

    2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇

化学图谱

  1. 2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇红外图谱(IR1)

  2. 2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇质谱(MS)

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name        2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol    
    (mixture of isomers)
    Portland OR
    2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-
    Synonym
    (CA INDEX NAME); Linalool Oxide Pyranoid;
    3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran
    Chemical Formula        C10H18O2    
    CAS Number        14049-11-7    

Section II.        Composition and Information on Ingredients    
    CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Chemical Name
    2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol        14049-11-7 Min. 98.0 (GC) Not available.        Not available.    
    (mixture of isomers)

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    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. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. 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.

Section V.        Fire and Explosion Data    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol
    (mixture of isomers)

Section VI.        Accidental Release Measures    
    Spill Cleanup        Irritating material.    
    Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing
    Instructions
    any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a    
    dry, cool place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Liquid. (Clear, colorless ~ light yellow.)        Solubility    
    Physical state @ 20°C        Not available.    
    Not available.
    Specific Gravity
    170.25
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        98°C (208.4°F) @ 10 mmHg        Vapor Pressure        Not available.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    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
    Not available.
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    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        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye    
    is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
    Continued on Next Page
    2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol
    (mixture of isomers)

Section XIII.        Disposal Considerations    
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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 the 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 compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        On DSL.    
    (Canada)
    EINECS Number (EEC) 237-889-1
    EEC Risk Statements        R36/37/38- Irritating to eyes, respiratory system and skin.    


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:50.96

2、   摩尔体积(m3/mol):172.1

3、   等张比容(90.2K):413.0

4、   表面张力(dyne/cm):33.1

5、   极化率10-24cm3):20.20

计算化学数据


1.疏水参数计算参考值(XlogP):1.4

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:186

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:2

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
  • 78-70-6

    芳樟醇

  • 67674-42-4

    2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate

下游产品

更多
  • 33933-72-1

    6-ethenyl-2,2,6-trimethyloxan-3-one

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