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90-65-3生产厂家

90-65-3价格

90-65-3

90-65-3结构式
90-65-3结构式
  • 常用中文名:青霉酸
  • 常用英文名:g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
  • CAS号:90-65-3
  • 分子式:C8H10O4
  • 分子量:170.163
  • 相关类别: 化学试剂 有机试剂 脂肪酸
  • 发布时间:2018-04-16 08:00:00
  • 更新时间:2024-01-06 11:39:10
  • Penicillic acid 是由几种曲霉菌和青霉菌产生的一种聚酮化合物霉菌毒素,在体外对大鼠肺泡巨噬细胞 (AM) 具有细胞毒性。Penicillic acid 通过阻断 caspase-8 自我加工来抑制 Fas 配体诱导的细胞凋亡。

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中文名 青霉酸
英文名 penicillic acid
英文别名 3-methoxy-5-methyl-4-oxo-5-hexadienoicacid
Penicillic acid 25MG
3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid
pencillicacid
EINECS 202-008-1
Penicillic acid from Penicillium cyclopium
3-Methoxy-5-methyl-4-oxo-hexa-2,5-diensaeure
(2E)-3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Penicillinsaeure
kyselinapenicilova
2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, (2E)-
(2E)-3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid
g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
PENICILLINACID
Penicilliumsaeure
MFCD00004365
描述 Penicillic acid 是由几种曲霉菌和青霉菌产生的一种聚酮化合物霉菌毒素,在体外对大鼠肺泡巨噬细胞 (AM) 具有细胞毒性。Penicillic acid 通过阻断 caspase-8 自我加工来抑制 Fas 配体诱导的细胞凋亡。
相关类别
参考文献

[1]. Sorenson WG, et al. Toxicity of penicillic acid for rat alveolar macrophages in vitro. Environ Res. 1986 Dec;41(2):505-13.

[2]. Bando M, et al. The mycotoxin penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8 in death-inducing signaling complex. J Biol Chem. 2003 Feb 21;278(8):5786-93.

密度 1.2±0.1 g/cm3
沸点 285.7±35.0 °C at 760 mmHg
熔点 83-87ºC
分子式 C8H10O4
分子量 170.163
闪点 113.5±19.4 °C
精确质量 170.057907
PSA 63.60000
LogP 0.84
外观性状 淡黄色粉末
蒸汽压 0.0±1.3 mmHg at 25°C
折射率 1.482
储存条件

密封贮藏,储存在阴凉、干燥地方。

稳定性

1. 常温常压下稳定,避免与不相容材料接触。

2. 与强氧化剂反应。

3. 存在于烟叶中。

4. 高毒,疑为致癌物。

水溶解性 DMSO: >10mg/mL
计算化学

1、 疏水参数计算参考值(XlogP):1.5

2、 氢键供体数量:0

3、 氢键受体数量:4

4、 可旋转化学键数量:3

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA):66.4

7、 重原子数量:12

8、 表面电荷:-1

9、 复杂度:244

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:1

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

更多

1. 性状:深黄色粉末。

2. 密度(g/mL,25℃):1.157

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):83-87

5. 沸点(ºC,常压):285.7

6. 沸点(ºC,50mmHg):未确定

7. 折射率(n20/D):1.482

8. 闪点(ºC):113.5

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(mmHg,40ºC):未确定

12. 饱和蒸气压(kPa,125ºC):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:易溶于热水、乙醇、乙醚、苯、氯仿,略溶于冷水(2g/100ml),微溶于热石油醚,几乎不溶于戊烷和己烷

Name: Penicillic Acid Material Safety Data Sheet
Synonym: Gamma-Keto-Beta-Methoxy-Delta-Methylene-Delta(sup alpha)-Hexenoic Acid; Kyselina Penicilova; 3-Methoxy-5-Methyl-4-Oxo-2,5-Hexadienoic Acid
CAS: 90-65-3
Section 1 - Chemical Product MSDS Name:Penicillic Acid Material Safety Data Sheet
Synonym:Gamma-Keto-Beta-Methoxy-Delta-Methylene-Delta(sup alpha)-Hexenoic Acid; Kyselina Penicilova; 3-Methoxy-5-Methyl-4-Oxo-2,5-Hexadienoic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
90-65-3 Penicillic Acid ca 100 202-008-1
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Cancer suspect agent.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
May cause cancer according to animal studies. Adverse reproductive effects have been reported in animals.

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:
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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.

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# 90-65-3: 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 prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86 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:
Specific Gravity/Density:
Molecular Formula: C8H10O4
Molecular Weight: 170.16

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 90-65-3: MM2625000 LD50/LC50:
CAS# 90-65-3: Oral, mouse: LD50 = 600 mg/kg.
Carcinogenicity:
Penicillic Acid - 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 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 90-65-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90-65-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90-65-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性:小鼠经皮下LD50:100mg/kg;

生态学数据:

对环境有危害,对水体有污染。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MM2625000
CHEMICAL NAME :
2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-
CAS REGISTRY NUMBER :
90-65-3
BEILSTEIN REFERENCE NO. :
1773464
LAST UPDATED :
199612
DATA ITEMS CITED :
34
MOLECULAR FORMULA :
C8-H10-O4
MOLECULAR WEIGHT :
170.18
WISWESSER LINE NOTATION :
QV1UYO1&VY1&U1

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 :
90 mg/kg
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
960 mg/kg/48W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
608 mg/kg/38W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
90 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
90 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
500 ug/L
REFERENCE :
FOBLAN Folia Biologica (Prague). (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1955- Volume(issue)/page/year: 32,406,1986 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,211,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,211,1976 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW LLOYA2 Lloydia. (Cincinnati, OH) V.1-41, 1938-78. For publisher information, see JNPRDF. Volume(issue)/page/year: 38,21,1975 TOXICOLOGY REVIEW 22HAAD "Microbial Toxins, 1970-72," Ajil, S.J., et al., eds., New York, Academic Press, Inc., 1970-72 Volume(issue)/page/year: 6,409,1971 TOXICOLOGY REVIEW ARMIAZ Annual Review of Microbiology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.1- 1947- Volume(issue)/page/year: 26,279,1972

危害码 (欧洲) Xn: Harmful;T: Toxic;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26;S37/S39
危险品运输编码 UN 2811
RTECS号 MM2625000
包装等级 III
危险类别 6.1(b)
海关编码 2918990090
海关编码 2918990090
中文概述 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素 品名, 成分含量, 用途
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%