1-Propanone, 1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

物化性质

外观与性状：

淡黄色粉末

密度：

1.555 g/cm3

熔点：

113-114 °C(lit.)

沸点：

770ºC at 760 mmHg

闪点：

270.7ºC

折射率：

-54 ° (C=3.2, 95% EtOH)

存储条件/存储方法：

本品应密封阴凉干燥保存。

其它信息：

1. 性状：白色轻质细长针状小结晶，味先甜而后苦

2. 密度（g/mL,25/4℃）：1.4298g/cm3

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：109

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：能溶于热水、乙醇、甲醇、戊醇、丙酮、乙酸乙酯、吡啶、冰乙酸等，不溶于醚、氯仿和苯。

安全信息

外观与性状：

淡黄色粉末

密度：

1.555 g/cm3

熔点：

113-114 °C(lit.)

沸点：

770ºC at 760 mmHg

闪点：

270.7ºC

折射率：

-54 ° (C=3.2, 95% EtOH)

存储条件/存储方法：

本品应密封阴凉干燥保存。

其它信息：

1. 性状：白色轻质细长针状小结晶，味先甜而后苦

2. 密度（g/mL,25/4℃）：1.4298g/cm3

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：109

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：能溶于热水、乙醇、甲醇、戊醇、丙酮、乙酸乙酯、吡啶、冰乙酸等，不溶于醚、氯仿和苯。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UC2080000

CHEMICAL NAME :

1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)- 3-(4-hydroxyphenyl)-

CAS REGISTRY NUMBER :

60-81-1

LAST UPDATED :

199512

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C21-H24-O10

MOLECULAR WEIGHT :

436.45

WISWESSER LINE NOTATION :

T6OTJ B1Q CQ DQ EQ FOR CQ EQ BV2R DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,226,1954 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

600 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

85DJA5 "Malformations Congenitales des Mammiferes," Tuchmann-Duplessis, H., Paris, Masson et Cie, 1971 Volume(issue)/page/year: -,95,1971

毒理学数据：

1、急性毒性：小鼠腹腔LD：>500mg/kg

MSDS

Section I.Chemical Product and Company Identification
Chemical Name Phlorizin
Portland OR
SynonymPhloridzin
Chemical FormulaC21H24O10•2H2O
CAS Number60-81-1
Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
Phlorizin60-81-1Min. 97.0 (T) Not available.Mouse LD (intraperitoneal)
>500mg/kg
Section III. Hazards Identification
Acute Health EffectsIrritating 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 EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive: rat (intraperitoneal) 600mg/kg. Duration: female 8 days of pregnancy.
Effects on fertility- Post-implantation mortality.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.
Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
Wash any contaminated clothing before reusing.
InhalationIf 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.
IngestionINDUCE 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
Auto-IgnitionNot available.
FlammabilityMay be combustible at high temperature.
Flash PointsFlammable LimitsNot 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.
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.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Continued on Next Page
Phlorizin
Section VI.Accidental Release Measures
Spill CleanupIrritating material.
InstructionsIn 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
IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the
Handling and Storage
container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
Engineering ControlsUse 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 ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or
equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
Exposure LimitsNot available.
Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°CYellow powder.1g dissolves in water @ 22°C, 64mL water
@ 60°C, 22mL water @ 70°C.
Not available.Freely soluble in boiling water, in about 4
Specific Gravity
parts alcohol, methanol, amyl alcohol,
acetone, ethyl acetate, pyridine, aniline.
Practically insoluble in ether, chloroform
and benzene.
Molecular WeightPartition Coefficient
436.41 (Anh)Not available.
Boiling PointVapor Pressure
Not available.Not available.
Melting Point110°C (230°F)Vapor DensityNot available.
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteSweet with biter aftertaste.
Section X.Stability and Reactivity Data
StabilityThis material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of InstabilityAvoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents.
Section XI. Toxicological Information
RTECS NumberUC2080000
Eye contact. Ingestion. Inhalation. Skin contact.
Routes of Exposure
Toxicity DataMouse LD (intraperitoneal) >500mg/kg
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive: rat (intraperitoneal) 600mg/kg. Duration: female 8 days of pregnancy.
Effects on fertility- Post-implantation mortality.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic EffectsIrritating 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.
Continued on Next Page
Phlorizin
Section XII.Ecological Information
EcotoxicityNot available.
Not available.
Environmental Fate
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 the substance.
Section XIV. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
Not applicable.
PIN Number
Proper Shipping Name
Not applicable.
Packing Group (PG)Not applicable.
DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis 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 inpidual 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 ClassificationNot available.
(Canada)
EINECS Number (EEC) 200-487-1
EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin.
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：106.75

2、 摩尔体积（m³/mol）：280.5

3、 等张比容（90.2K）：839.3

4、 表面张力（dyne/cm）：80.1

5、 极化率（10^-24cm³）：42.32

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:7

3.氢键受体数量:10

4.可旋转化学键数量:7

5.互变异构体数量:42

6.拓扑分子极性表面积177

7.重原子数量:31

8.表面电荷:0

9.复杂度:581

10.同位素原子数量:0

11.确定原子立构中心数量:5

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