1121-97-7
1121-97-7结构式
- 常用中文名：5-羟基甲基-5-甲基-1,3-二氧己烷
- 常用英文名：5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE
- CAS号：1121-97-7
- 分子式：C6H12O3
- 分子量：132.15800
- 发布时间：2019-01-02 11:16:35
- 更新时间：2024-01-02 19:01:27
| 中文名 | 5-羟基甲基-5-甲基-1,3-二氧己烷 |
|---|---|
| 英文名 | (5-methyl-1,3-dioxan-5-yl)methanol |
| 中文别名 | 5-羟甲基-5-甲基-1,3-二烷 |
| 英文别名 |
5-Methyl-5-hydroxymethyl-1,3-dioxan
m-DIOXANE-5-METHANOL,5-METHYL (5-methyl-1,3-dioxan-5-yl)methan-1-ol 5-methyl-5-hydroxymethyl-1,3-dioxane 5-methyl-1,3-dioxan-5-ylmethanol 5-Methyl-1,3-dioxane-5-methanol EINECS 217-992-8 5-hydroxymethyl-5-methyl-1,3-dioxane |
| 密度 | 1.052g/cm3 |
|---|---|
| 沸点 | 198.1ºC at 760mmHg |
| 分子式 | C6H12O3 |
| 分子量 | 132.15800 |
| 闪点 | 90.4ºC |
| 精确质量 | 132.07900 |
| PSA | 38.69000 |
| 蒸汽压 | 0.0926mmHg at 25°C |
| 折射率 | 1.4565-1.4585 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。 |
| 稳定性 | 与强氧化剂反应。 |
| 分子结构 | 1、摩尔折射率：32.49 2、摩尔体积（cm3/mol）：125.5 3、等张比容（90.2K）：314.1 4、表面张力（dyne/cm）：39.2 5、介电常数：无可用的 6、极化率（10-24cm3）：12.88 7、单一同位素质量：132.078644 Da 8、标称质量：132 Da 9、平均质量：132.1577 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.2 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积38.7 7.重原子数量:9 8.表面电荷:0 9.复杂度:86.3 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 |
| 更多 | 1. 性状：无色透明的粘稠液体 2. 密度（g/mL,25℃）：1.12 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：174-177 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,9mmHg）：未确定 7. 折射率(n20/D)：1.4565-1.4585 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,55ºC）：未确定 12. 饱和蒸气压（kPa,25ºC）：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：未确定 |
Synonym:m-Dioxane-5-methanol, 5-methyl-; 5-Methyl-1,3-dioxane-5-methanol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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. No information regarding eye irritation and other potential effects was found. Skin: May cause skin irritation. No information regarding skin irritation and other potential effects was found. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Storage under a nitrogen blanket has been recommended. 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# 1121-97-7: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. 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: Viscous liquid Color: clear, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.1203 g/cm3 Molecular Formula: C6H12O3 Molecular Weight: 132.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: On long term storage, substances with similar functional groups form explosive peroxides. Conditions to Avoid: Excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1121-97-7: JH1942500 LD50/LC50: Not available. Carcinogenicity: 5-Hydroxymethyl-5-methyl-1,3-dioxane - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 1121-97-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1121-97-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1121-97-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 1、急性毒性：小鼠经静脉LD50：180mg/kg； CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| 安全声明 (欧洲) | S24/25 |
|---|---|
| 海关编码 | 2932999099 |
|
~87%
1121-97-7 |
| 文献：Williams, D.R.; Sakdarat, Santi Tetrahedron Letters, 1983 , vol. 24, # 37 p. 3965 - 3968 |
|
~84%
1121-97-7 |
| 文献：Gras, Jean-Louis; Nouguier, Robert; Mchich, Mohammed Tetrahedron Letters, 1987 , vol. 28, # 52 p. 6601 - 6604 |
|
~87%
1121-97-7 |
| 文献：Oparina; Vysotskaya; Parshina; Khil'ko; Gusarova Russian Journal of Organic Chemistry, 2008 , vol. 44, # 10 p. 1434 - 1437 |
| 上游产品 4 | |
|---|---|
| 下游产品 1 | |
| 海关编码 | 2932999099 |
|---|---|
| 中文概述 | 2932999099. 其他仅含氧杂原子的杂环化合物. 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 |
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |