2-(1-金刚烷基)-2-丙醇

2-(1-金刚烷基)-2-丙醇 基本信息
CAS号 775-64-4 分子式 C13H22O
分子量 194.31300 精确质量  194.16700
PSA  20.23000 LogP  2.97370

基本信息 展开↓

CAS号:
775-64-4
3D弹球模型:
立即前往扯扯看
分子式:
C13H22O
分子量:
194.31300
中文名称:
2-(1-金刚烷基)-2-丙醇
英文名称:
2-Adamantan-1-yl-propan-2-ol
中文别名:
2-(1-金刚烷基)-2-丙醇;
2-(1-金刚烷)-2-丙醇
英文别名:
2-Adamantan-1-yl-propan-2-ol;
2-(1-Adamantyl)propan-2-ol
精确分子量/精确质量:
194.16700
极性分子表面积/PSA:
20.23000
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。
InChI:
InChI=1/C13H22O/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14H,3-8H2,1-2H3

物化性质展开↓

密度:
1.07 g/cm3
熔点:
75ºC
沸点:
276.2ºC at 760 mmHg
闪点:
127.9°C
折射率:
1.543

安全信息展开↓

海关代码:
2906199090
安全说明:
S24/25
危险标志:
Xi

合成路线查看所有的合成路线

  • 2094-73-7

    金刚烷-1-甲酸乙酯

  • ~85%

  • 775-64-4

    2-(1-金刚烷基)-2-丙醇

  • 917-64-6

    magnesium,carbanide,iodide

  • +

  • 2094-73-7

    金刚烷-1-甲酸乙酯

  • ~83%

  • 775-64-4

    2-(1-金刚烷基)-2-丙醇

  • 917-54-4

    甲基锂

  • +

  • 2094-72-6

    金刚烷酰氯

  • ~37%

  • 775-64-4

    2-(1-金刚烷基)-2-丙醇

  • +

  • 82094-53-9

    1,3-bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)propan-1,3-dione

MSDS 展开↓

Name: 2-(1-Adamantyl)propan-2-ol 97% Material Safety Data Sheet
Synonym:
CAS: 775-64-4
Section 1 - Chemical Product   MSDS Name:2-(1-Adamantyl)propan-2-ol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
775-64-4 2-(1-Adamantyl)propan-2-ol 97% 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:
Vacuum or sweep up material and place into a suitable disposal 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# 775-64-4: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 75 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H22O
Molecular Weight: 194

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 775-64-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(1-Adamantyl)propan-2-ol - 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
No information available.
IMO
No information available.
RID/ADR
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# 775-64-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 775-64-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 775-64-4 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:2906199090

概述:
2906199090. 其他环烷醇,环烯醇及环萜烯醇. 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
摘要/Summary:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. 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↓

计算化学数据


1.疏水参数计算参考值(XlogP):3.1

2.氢键供体数量:1

3.氢键受体数量:1

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:20.2

7.重原子数量:14

8.表面电荷:0

9.复杂度:213

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

上下游相关产品

上游产品

更多
  • 57680-77-0

    1-adamantylmagnesium bromide

  • 67-64-1

    丙酮

  • 773-33-1

    1-prop-1-en-2-yladamantane

  • 1148-11-4

    N-苄氧羰基-L-脯氨酸

  • 917-54-4

    甲基锂

下游产品

更多
  • 880-49-9

    3-isopropyl-1-adamantanol

  • 1660-04-4

    1-金刚烷甲酮

  • 120626-27-9

    1-nitro-2-(1-adamantyl)-1-propene

  • 773-32-0

    1-propan-2-yladamantane

  • 773-33-1

    1-prop-1-en-2-yladamantane

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便