20880-92-6 (双丙酮-β-D-果糖,2,3:4,5-Di-O-isopropylidene-b-D-fructopyranose)

快速询单

结构式：

双丙酮-β-D-果糖MOL文件

CAS号：

20880-92-6

中文名称：

双丙酮-β-D-果糖

英文名称：

2,3:4,5-Di-O-isopropylidene-b-D-fructopyranose

分子式：

C₁₂H₂₀O₆

分子量：

260.283604621887

API：

Topiramate

双丙酮-β-D-果糖(20880-92-6)名称与标识符

名称

中文别名：

双丙酮-β-D-果糖;果糖二丙酮;2,3:4,5-双-O-(1-甲基亚乙基)-b-D-吡喃果糖;2,3:4,5-二-O-异亚丙基-β-D-吡喃果糖;2,3,4,5-二-O-异亚丙基α-D-吡喃果糖;2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose 2,3:4,5-二-O-异亚丙基-β-D-吡喃果糖;2,3:4,5-双-O-(1-甲基亚乙基)-b-;果糖二***;双***-β-D-果糖;双丙叉果糖;双丙酮-D-果糖;双丙酮-β-D-果糖原药;托吡酯相关化合物 A;托吡酯相关物质A USP标准品;托吡酯杂质标准品;托吡酯杂质A;2,3,4,5-双-O-异亚丙基-β-D-吡喃果糖;3-碘-L-酪氨酸;双丙酮果糖;托吡酯相关物质A;

英文别名：

Diacetone-beta-D-fructose;2-3-4-5-di-O-isopropylidene-B-D-*fructopyranose;2,3:4,5-di-O-isopropylidenefructose;2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose;Diacetonefructose;2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose;1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose;2,3:4,5-BIS-O-(1,2 METHYLETHYLIDENE)-BETA-D-FRUETOPYRANOSE;2,3:4,5-Bis-O-(1-methylethylidene)-β-D-fructopyranose;Diacetone frucose;2,3:4,5-Bis-O-(1-Methylethylidene)-beta-D-fructopyranose;2,3-DIFLUORO-6-METHOXYPHENYLACETIC ACID;3-Iodo-L-tyrosine;D-Fructopyranose diacetonide;Diacetone-B-D-fructose;DiacetonefruCLose;DIACETONE-SS-D-FRUCTOSE;Methylethylidene fruetopyranose;Topiramate Related Compound A;2,3:4,5-Bis-O-(1-methylethylidene)-b-D-fructopyranose;2,3:4,5-Di-O-isopropylidene-b-D-fructopyranose;Topiramate impurity A;DS-3293;.beta.-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-;20880-92-6;PSSHGMIAIUYOJF-XBWDGYHZSA-N;2,3:4,5-Di-o-isopropylidene-beta-D-fructopyranos, (-)-;2,3:4,5-DI-O-ISOPROPYLIDENE-.BETA.-D-FRUCTOPYRANOS, (-)-;BCP9000603;((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol;2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose; Topiramate Related Compound A; Topiramate Impurity A;SQ9F5005S8;A11769;2,3:4,5-Di-O-isopropylidene- beta -D-fructopyranose;CS-W012508;UNII-SQ9F5005S8;AKOS015901555;Q27289341;2,3:4,5-Di-O-isopropylidene-?-D-fructopyranose;((3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL)METHANOL;2,3:4,5-DI-O-ISOPROPYLIDENE-.BETA.-D-FRUCTOPYRANOSE;2,3:4,5-BIS-O-(1-METHYLETHYLIDENE)-.BETA.-D-FRUCTOPYRANOSE;[(1R,2R,6S,9R)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol;BCP0726000040;NSC 407023;beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-;NSC-407023;MFCD00022183;[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol;SCHEMBL607816;Diacetone-D-fructose;2,3:4,5-BIS-O-(1-METHYLETHYLIDINE)-B-D-FRUCTOPYRANOSE;DTXCID501474657;[(1R,2S,6S,9R)-4,4,11,11-TETRAMETHYL-3,5,7,10,12-PENTAOXATRICYCLO[7.3.0.0(2),?]DODECAN-6-YL]METHANOL;

标识符

MDL：

MFCD00022183

InChIKey：

PSSHGMIAIUYOJF-XBWDGYHZSA-N

Inchi：

1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

SMILES：

O1C(C)(C)O[C@@]2(CO)[C@@H]1[C@H]1[C@@H](CO2)OC(C)(C)O1

双丙酮-β-D-果糖(20880-92-6)物化性质

实验特性

LogP : 0.37680
PSA : 66.38000
折射率 : 1.522
沸点 : 332.6°C at 760 mmHg
熔点 : 94.0 to 98.0 deg-C
闪点 : 154.9±26.5 °C
溶解度 : Soluble in chloroform, ethyl acetate, methanol.
颜色与性状 : No data available
比旋光度 : -24 to -27 °(c=1, in CHCl3)
密度 : 1.1810

计算特性

精确分子量 : 260.12600
氢键供体数量 : 1
氢键受体数量 : 6
可旋转化学键数量 : 1
同位素质量 : 260.126
重原子数量 : 18
复杂度 : 355
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.3
拓扑分子极性表面积 : 66.4A^2

双丙酮-β-D-果糖(20880-92-6)安全信息

WGK Germany： 3
安全说明： S26; S36/37
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： <0°C
危险类别码： 36/37/38
信号词： Warning
监管条件代码： Q类（糖类，生物碱类，抗生素类，激素类）

双丙酮-β-D-果糖(20880-92-6)国际标准相关数据

EINECS：

24893322

双丙酮-β-D-果糖(20880-92-6)生产方法和用途

用途：

托吡酯中间体。

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双丙酮-β-D-果糖(20880-92-6)上下游

托吡酯去acetal杂质托吡酯 D-无水葡萄糖托吡酯杂质D b-D-呋喃果糖棉子糖 2-Butenoic acid, 3-[(aminocarbonyl)amino]-, ethyl ester, (2Z)- D(-)-果糖蔗糖 D-Fructopyranose 丙酮盐酸果糖磷酸硫酸 2,2-二甲氧基丙烷乙基溴化镁

双丙酮-β-D-果糖(20880-92-6)参考资料

Reaxys RN：

10605

Beilstein：

19(4)6124

PubChem CID：

87561378

双丙酮-β-D-果糖(20880-92-6) MSDS

基础信息

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    : 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose
    Product name
    CAS-No.        : 20880-92-6
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : D-Fructopyranose diacetonide
    Formula        : C12H20O6
    Molecular Weight        : 260,28 g/mol

Section 4. FIRST AID MEASURES
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.
  Most important symptoms and effects, both acute and delayed
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Recommended storage temperature: -20 °C
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    Use equipment for eye protection tested and approved under appropriate government standards
    such as NIOSH (US) or EN 166(EU).
  Skin protection
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid
    b) Odour        no data available
    c) Odour Threshold        no data available
    d) pH        no data available
    e) Melting point/freezing        no data available
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available
    h) Evaporation rate        no data available
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available
    flammability or
    explosive limits
    k) Vapour pressure        no data available
    l) Vapour density        no data available
    m) Relative density        no data available
    n) Water solubility        no data available
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available
    temperature
    q) Decomposition        no data available
    temperature
    r) Viscosity        no data available
    s) Explosive properties        no data available
    t) Oxidizing properties        no data available
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation
    May be harmful if inhaled. May cause respiratory tract irritation.
  Ingestion        May be harmful if swallowed.
  Skin        May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.