2H-Oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione,6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-,(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-

物化性质

外观与性状：

粉末

密度：

1.2 g/cm3

熔点：

218-223ºC

沸点：

740.6ºC at 760 mmHg

闪点：

401.7ºC

折射率：

1.596

蒸汽压：

4.98E-23mmHg at 25°C

其它信息：

1.性状：白色粉末

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）：218-223

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：不溶于水。

溶解度：10.3 mg/mL丙酮，35.4 mg/mL乙醇，371 mg/mLDMSO，492 mg/mLDMF（24℃）。

安全信息

外观与性状：

粉末

密度：

1.2 g/cm3

熔点：

218-223ºC

沸点：

740.6ºC at 760 mmHg

闪点：

401.7ºC

折射率：

1.596

蒸汽压：

4.98E-23mmHg at 25°C

其它信息：

1.性状：白色粉末

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）：218-223

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：不溶于水。

溶解度：10.3 mg/mL丙酮，35.4 mg/mL乙醇，371 mg/mLDMSO，492 mg/mLDMF（24℃）。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

RO0205000

CHEMICAL NAME :

2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a, 16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-met hylene-, (E)-(5S,9R,12aS,13S,15S,15aS, 16aS,18aS)-

CAS REGISTRY NUMBER :

14930-96-2

LAST UPDATED :

199612

DATA ITEMS CITED :

18

MOLECULAR FORMULA :

C29-H37-N-O5

MOLECULAR WEIGHT :

479.67

WISWESSER LINE NOTATION :

T56-14- 1A U AXVM GY TVO JU RUTJ D1R& F1 GU1 HQ M1 QQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

11 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Behavioral - coma Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

30 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1500 ug/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

5 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TYPE OF TEST :

Cytogenetic analysis

TEST SYSTEM :

Mammal - species unspecified Bone marrow

DOSE/DURATION :

1 gm/L

REFERENCE :

TSITAQ Tsitologiya. Cytology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1959- Volume(issue)/page/year: 24,814,1982

毒理学数据：

1、急性毒性：小鼠口经LD50：11mg/kg；大鼠LD50：30mg/kg

MSDS

Name:	Cytochalasin B 98% (TLC) Material Safety Data Sheet
Synonym:	None Known
CAS:	14930-96-2

Section 1 - Chemical Product   MSDS Name:Cytochalasin B 98% (TLC) Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14930-96-2	Cytochalasin B	98%	239-000-2

Hazard Symbols: T+
Risk Phrases: 26/27/28 40
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.
Limited evidence of a carcinogenic effect.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed. Adverse reproductive effects have been reported in animals. Laboratory experiments have resulted in mutagenic effects.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Poison room locked/refrigerator.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 14930-96-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 221.00 - 223.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C29H37NO5
Molecular Weight: 479.60
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14930-96-2: RO0205000 LD50/LC50:
Not available.
Carcinogenicity:
Cytochalasin B - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 1 Keep locked up.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 14930-96-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14930-96-2 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14930-96-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

五、分子性质数据：

1、 摩尔折射率：135.03

2、 摩尔体积（m³/mol）：396.8

3、 等张比容（90.2K）：1072.3

4、 表面张力（dyne/cm）：53.3

5、 极化率（10^-24cm³）：53.53

计算化学数据

1、疏水参数计算参考值（XlogP）：3.4

2、氢键供体数量：3

3、氢键受体数量：5

4、可旋转化学键数量：2

5、互变异构体数量：2

6、拓扑分子极性表面积（TPSA）；95.9

7、重原子数量：35

8、表面电荷：0

9、复杂度：859

10、同位素原子数量：0

11、确定原子立构中心数量：6

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：2

14、不确定化学键立构中心数量：0

15、共价键单元数量：1