5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 基本信息

中文名称:
5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 
中文别名:
5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷;
5,5-二甲-1,3-二噁烷-2-定醛;
5,5-二甲基-2-(3'-甲酰基丙基)-1,3-二烷 
英文名称:
1,3-Dioxane-2-butanal,5,5-dimethyl-
英文别名:
5,5-Dimethyl-2-butanal-1,3-dioxane;
4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal;
5,5-DIMETHYL-2-(3'-FORMYLPROPYL)-1,3-DIOXANE;
5,5-Dimethyl-1,3-dioxane-2-butanal 
CAS No.:
127600-13-9
分 子 式:
C10H18O3
分 子 量:
186.25
精确分子量:
186.12600
PSA:
35.53000
MDL:
MFCD02683076
InChI:
The Key: KSKRSPYEXSAZRE-UHFFFAOYSA-N
危险品标志:
IrritantXi
风险术语:
R36/37/38
安全术语:
S37/39;S26
分子结构式:
SDS:
查看

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 物化性质

密度:
0.955g/cm3
沸点:
257.4ºC at 760mmHg
闪点:
100.1ºC
折射率:
1.4475-1.4495
蒸汽压:
0.0145mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物
其它信息:

1.        性状:无色至微黄色液体

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):未确定

7.         折射率:n20/D 1.4475-1.4495

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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 安全信息

海关代码:
2932999099
危险类别码:
R36/37/38
安全说明:
S37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 毒理性

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 MSDS

Name: 5 5-Dimethyl-2-butanal-1 3-dioxane Material Safety Data Sheet
Synonym:
CAS: 127600-13-9
Section 1 - Chemical Product   MSDS Name:5 5-Dimethyl-2-butanal-1 3-dioxane Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
127600-13-9 5,5-Dimethyl-2-butanal-1,3-dioxane unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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 water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 127600-13-9: Personal Protective Equipment Eyes: Not available.
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: Oil
Color: beige
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:
Molecular Formula: C10H18O3
Molecular Weight: 186.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 127600-13-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5,5-Dimethyl-2-butanal-1,3-dioxane - 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.
WGK (Water Danger/Protection)
CAS# 127600-13-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 127600-13-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 127600-13-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 海关数据

中国海关编码:2932999099

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
摘要/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%

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:49.75

2、摩尔体积(cm3/mol):194.8

3、等张比容(90.2K):465

4、表面张力(dyne/cm):32.4

5、介电常数:无可用的

6、极化率(10-24cm3):19.72

7、单一同位素质量:186.125594 Da

8、标称质量:186 Da

9、平均质量:186.2481 Da

计算化学数据

1.疏水参数计算参考值(XlogP):1.2

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积35.5

7.重原子数量:13

8.表面电荷:0

9.复杂度:156

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

5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 上游产品

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产品名称:5,5-二甲-2-(3'-甲酰基丙基)-1,3-二噁烷 Cas号:127600-13-9 纯度:99% 包装信息:100kg 价格:洽谈
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