环壬酮

环壬酮 基本信息
CAS号 3350-30-9 分子式 C9H16O
分子量 140.22300 精确质量  140.12000
PSA  17.07000 LogP  2.68990

基本信息 展开↓

CAS号:
3350-30-9
3D弹球模型:
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分子式:
C9H16O
分子量:
140.22300
中文名称:
环壬酮
英文名称:
cyclononanone
中文别名:
环壬酮
英文别名:
cyclononanone;
Ketononamethylen
精确分子量/精确质量:
140.12000
极性分子表面积/PSA:
17.07000
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。
贝尔斯坦号/MDL:
MFCD00001756
EINECS:
222-108-9
PubChem:
24892339
BRN:
1280879
InChI:
The Key: BAUZLFKYYIVGPM-UHFFFAOYSA-N

物化性质展开↓

密度:
0.897g/cm3
熔点:
24-26ºC(lit.)
沸点:
95-97ºC18 mm Hg(lit.)
闪点:
65.6ºC
折射率:
n20/D 1.477(lit.)
存储条件/存储方法:

密闭,阴凉干燥处保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险发生

其它信息:

1.       性状:未确定

2.       密度(g/mL at 25°C):0.959

3.       相对密度(20℃,4℃):0.950334

4.       熔点(ºC):34

5.       沸点(ºC,常压):148.524

6.       沸点(ºC,18mmHg):95-97

7.       折射率(n20/D):1.4750

8.       闪点(ºC):65.6

9.      相对密度(25℃,4℃):0.934056

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(mmHg,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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:
2914299000
危险类别码:
20/22
安全说明:
36
安全标志:
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 116910-34-0

    116910-34-0

  • ~87%

  • 3350-30-9

    环壬酮

  • 4017-57-6

    (3s,3as,6ar)-3-异丙基-1-(甲磺酰)-4-[4-(1-哌啶基)-2(e)-丁烯酰]全氢吡咯并[3,2b]吡咯-2(1h)-酮盐酸

  • ~83%

  • 3350-30-9

    环壬酮

  • 4885-02-3

    二氯甲基甲醚

  • +

  • 60579-67-1

    B-methoxyboronane

  • ~77%

  • 3350-30-9

    环壬酮

MSDS 展开↓

Name: Cyclononanone 95% Material Safety Data Sheet
Synonym:
CAS: 3350-30-9
Section 1 - Chemical Product   MSDS Name:Cyclononanone 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3350-30-9 Cyclononanone, 95% 222-108-9
Hazard Symbols: Not available.
Risk Phrases:

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Appearance: colourless Target Organs: None.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately.
Notes to Physician:
Treat symptomatically.

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits +--------------------+-------------------+-------------------+-----------------+ | Chemical Name | ACGIH | NIOSH |OSHA - Final PELs| |--------------------|-------------------|-------------------|-----------------| | Cyclononanone, 95% |none listed |none listed |none listed | +--------------------+-------------------+-------------------+-----------------+ OSHA Vacated PELs: Cyclononanone, 95%: No OSHA Vacated PELs are listed for this chemical.
Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Appearance: colourless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 95.0 - 97.0 deg C @ 18.00mmHg
Freezing/Melting Point: 26.00 - 31.00 deg C
Autoignition Temperature: Not available.
Flash Point: 65 deg C ( 149.00 deg F)
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.
Decomposition Temperature:
Solubility:
Specific Gravity/Density: .9590g/cm3
Molecular Formula: C9H16O
Molecular Weight: 140.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong bases - reducing 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# 3350-30-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Cyclononanone, 95% - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Chemical waste generators must determine whether a discarded chemical is classif as a hazardous waste.
US EPA guidelines for the classification determination are listed in 40 CFR Part Additionally, waste generators must consult state and local hazardous waste regu ensure complete and accurate classification.
RCRA P-Series: None listed.
RCRA U-Series: None listed.

Section 14 - TRANSPORT INFORMATION
 
CDG/CPL
Not classified as hazardous for supply.
Canadian TDG
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3350-30-9: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 3350-30-9 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 3350-30-9 is not listed on the TSCA inventory.
It is for research and development use only.
Health & Safety Reporting List
None of the chemicals are on the Health & Safety Reporting List.
Chemical Test Rules
None of the chemicals in this product are under a Chemical Test Rule.
Section 12b
None of the chemicals are listed under TSCA Section 12b.
TSCA Significant New Use Rule
None of the chemicals in this material have a SNUR under TSCA.
SARA
Section 302 (RQ)
None of the chemicals in this material have an RQ.
Section 302 (TPQ)
None of the chemicals in this product have a TPQ.
Section 313
No chemicals are reportable under Section 313.
Clean Air Act:
This material does not contain any hazardous air pollutants.
This material does not contain any Class 1 Ozone depletors.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2914299000

概述:
2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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:41.63

2、   摩尔体积(cm3/mol):156.1

3、   等张比容(90.2K):366.0

4、   表面张力(dyne/cm):30.1

5、   介电常数(F/m):无可用

6、   偶极距(D):无可用

7、   极化率(10-24cm3):16.50

计算化学数据


1.疏水参数计算参考值(XlogP):2.6

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积17.1

7.重原子数量:10

8.表面电荷:0

9.复杂度:95.3

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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