4,5-二甲基-2-氧代-1,3.2-二氧硫杂戊烷

4,5-二甲基-2-氧代-1,3.2-二氧硫杂戊烷 基本信息
CAS号 4440-90-8 分子式 C4H8O3S
分子量 136.17000 精确质量  136.01900
PSA  54.74000 LogP  1.25460

等价的CAS号:

4440-90-8,24212-85-9,40811-17-4,40811-18-5,40934-47-2,51260-44-7,51260-47-0

基本信息 展开↓

CAS号:
4440-90-8
3D弹球模型:
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分子式:
C4H8O3S
分子量:
136.17000
中文名称:
4,5-二甲基-2-氧代-1,3.2-二氧硫杂戊烷
英文名称:
4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
中文别名:
4,5-二甲基-2-氧代-1,3.2-二氧硫杂戊烷;
4,5-二甲基-2-氧代-1,3.2-二氧硫杂环戊烷
英文别名:
4,5-dimethyl-1,3,2-dioxathiolane 2-oxide;
sym-Dimethylethylene sulfite;
EINECS 224-661-1;
2,cyclic sulfite;
4,5-Dimethyl-1,3,2-dioxathiolan-2-oxid;
2,3-butylene sulfite;
4,5-Dimethyl-1,3-dioxa-2-thiolan-2-oxid;
2,3-Butanediol,cyclic sulfite
精确分子量/精确质量:
136.01900
极性分子表面积/PSA:
54.74000
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。
EINECS:
224-661-1
InChI:
The Key: SAPINXZHMGNTEC-OBLUMXEWSA-N

物化性质展开↓

密度:
1.35g/cm3
沸点:
176.3ºC at 760 mmHg
闪点:
60.4ºC
折射率:
1.524

安全信息展开↓

海关代码:
2934999090

MSDS 展开↓

Name: 4 5-Dimethyl-2-Oxo-1 3 2-Dioxathiolane Material Safety Data Sheet
Synonym: None
CAS: 4440-90-8
Section 1 - Chemical Product   MSDS Name:4 5-Dimethyl-2-Oxo-1 3 2-Dioxathiolane Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4440-90-8 4,5-Dimethyl-2-Oxo-1,3,2-Dioxathiolane 100 % 224-661-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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:
No information found.

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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air.
They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4440-90-8: 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:
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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 158 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 69 deg C ( 156.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1770g/cm3
Molecular Formula: C4H8O3S
Molecular Weight: 136.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Mechanical shock, incompatible materials, ignition sources, excess heat, temperatures above 65C.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4440-90-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Dimethyl-2-Oxo-1,3,2-Dioxathiolane - Not listed by ACGIH, IARC, or NTP.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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.
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# 4440-90-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4440-90-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4440-90-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:30.82

2、  摩尔体积(cm3/mol):100.5

3、  等张比容(90.2K):270.1

4、  表面张力(dyne/cm):52.0

5、  极化率(10-24cm3):12.22

计算化学数据


1.疏水参数计算参考值(XlogP):0.8

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积54.7

7.重原子数量:8

8.表面电荷:0

9.复杂度:102

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:2

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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