小茴香醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 下游产品

小茴香醇 基本信息

中文名称:
小茴香醇 
中文别名:
小茴香醇;
(1R)-endo-(+)-葑基醇;
(1R)-1,3,3-三甲基双环[2.2.1]庚-2-醇;
(+)-葑醇;
(+)-葑基醇 
英文名称:
Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-, (1R,2R,4S)-
英文别名:
(1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol;
1,3,3-TRIMETHYL-2-NORBORNANOL 
CAS No.:
2217-02-9
分 子 式:
C10H18O
分 子 量:
154.25
精确分子量:
154.13600
PSA:
20.23000
MDL:
MFCD00003760
EINECS:
216-639-5
BRN:
1850917
InChI:
The Key: IAIHUHQCLTYTSF-SHTILUHOSA-N
风险术语:
36/38
安全术语:
S24/25
分子结构式:
SDS:
查看

小茴香醇 制备方法及用途

制备方法

由小茴香酮还原而得。由松萜烯制取。

用途简介

本品广泛用于配置木香、草香、柑橘型或某些花香型香精和化妆品及日用化学品中。

小茴香醇 物化性质

密度:
0.992g/cm3
熔点:
39-45ºC
沸点:
201ºC
闪点:
165 °F
折射率:
1.502
蒸汽压:
0.0693mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物接触

其它信息:

1.      性状:无色固体

2.      密度(g/mL,20ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):39-43

5.      沸点(ºC,常压):201-202

6.      沸点(ºC,21mmHg):未确定

7.      折射率nD20):未确定

8.      闪点(ºF165

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,25ºC):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

小茴香醇 安全信息

危险类别码:
36/38
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

小茴香醇 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

小茴香醇 MSDS

Name: (1R)-endo-(+)-Fenchol 96% Material Safety Data Sheet
Synonym: 1,3,3-Trimethyl-2-norbornano
CAS: 2217-02-9
Section 1 - Chemical Product   MSDS Name:(1R)-endo-(+)-Fenchol 96% Material Safety Data Sheet
Synonym:1,3,3-Trimethyl-2-norbornano

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2217-02-9 (1R)-endo-(+)-Fenchol 96 unlisted
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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
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 immediately.
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:
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 immediately.
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. Use water spray to keep fire-exposed containers cool. Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. 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 only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 2217-02-9: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: Colorless Crystals
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 201 deg C @ 760.00mmHg
Freezing/Melting Point: 39.00 - 45.00 deg C
Autoignition Temperature: Not available.
Flash Point: 73 deg C ( 163.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H18O
Molecular Weight: 154.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, strong acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2217-02-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1R)-endo-(+)-Fenchol - 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# 2217-02-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2217-02-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2217-02-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

小茴香醇 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:45.85

2、   摩尔体积m3/mol155.3

3、   等张比容(90.2K):381.2

4、   表面张力dyne/cm36.2

5   极化率10-24cm318.17

计算化学数据

1、   疏水参数计算参考值(XlogP):2.5

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:0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):20.2

7、   重原子数量:11

8、   表面电荷:0

9、   复杂度:185

10、同位素原子数量:0

11、确定原子立构中心数量:3

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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