6-Methyl-5-hepten-2-ol

物化性质

密度：

0.844 g/mL at 25ºC(lit.)

沸点：

78ºC14 mm Hg(lit.)

闪点：

154 °F

折射率：

n20/D 1.448(lit.)

存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

1. 常温常压下稳定。

2. 存在于主流烟气中。

其它信息：

1. 性状：不确定

2. 密度（g/mL,20/4℃）：0.844

3. 相对密度（20℃，4℃）：0.8547

4. 熔点（ºC）：不确定

5. 沸点（ºC,常压）：175

6. 沸点（ºC,14mmHg）：78

7. 折射率_(n²²_D) ：1.4476

8. 闪点（ºC）：67

9. 常温折射率（n²⁰）：1.4505

10. 自燃点或引燃温度（ºC）：不确定

11. 蒸气压（kPa,25ºC）：不确定

12. 饱和蒸气压（kPa,60ºC）：不确定

13. 燃烧热（KJ/mol）：不确定

14. 临界温度（ºC）：不确定

15. 临界压力（KPa）：不确定

16. 油水（辛醇/水）分配系数的对数值：不确定

17. 爆炸上限（%,V/V）：不确定

18. 爆炸下限（%,V/V）：不确定

19. 溶解性：不确定

安全信息

密度：

0.844 g/mL at 25ºC(lit.)

沸点：

78ºC14 mm Hg(lit.)

闪点：

154 °F

折射率：

n20/D 1.448(lit.)

存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

1. 常温常压下稳定。

2. 存在于主流烟气中。

其它信息：

1. 性状：不确定

2. 密度（g/mL,20/4℃）：0.844

3. 相对密度（20℃，4℃）：0.8547

4. 熔点（ºC）：不确定

5. 沸点（ºC,常压）：175

6. 沸点（ºC,14mmHg）：78

7. 折射率_(n²²_D) ：1.4476

8. 闪点（ºC）：67

9. 常温折射率（n²⁰）：1.4505

10. 自燃点或引燃温度（ºC）：不确定

11. 蒸气压（kPa,25ºC）：不确定

12. 饱和蒸气压（kPa,60ºC）：不确定

13. 燃烧热（KJ/mol）：不确定

14. 临界温度（ºC）：不确定

15. 临界压力（KPa）：不确定

16. 油水（辛醇/水）分配系数的对数值：不确定

17. 爆炸上限（%,V/V）：不确定

18. 爆炸下限（%,V/V）：不确定

19. 溶解性：不确定

毒理性

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS

Name:	DL-6-Methyl-5-Hepten-2-Ol 99% Material Safety Data Sheet
Synonym:	None known
CAS:	4630-06-2

Section 1 - Chemical Product   MSDS Name:DL-6-Methyl-5-Hepten-2-Ol 99% Material Safety Data Sheet
Synonym:None known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4630-06-2	DL-6-Methyl-5-Hepten-2-Ol	99	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. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
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. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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. Do NOT use mouth-to-mouth resuscitation.
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. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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# 4630-06-2: 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: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 deg C @ 14.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 67 deg C ( 152.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8440g/cm3
Molecular Formula: C8H16O
Molecular Weight: 128.21
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4630-06-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
DL-6-Methyl-5-Hepten-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
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# 4630-06-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4630-06-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4630-06-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：40.50

2、 摩尔体积（cm³/mol）：151.8

3、 等张比容（90.2K）：347.9

4、 表面张力（dyne/cm）：27.5

5、 极化率（10^-24cm³）：16.05

计算化学数据

1、 疏水参数计算参考值（XlogP）：2.3

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：3

5、 拓扑分子极性表面积（TPSA）：20.2

6、 重原子数量：9

7、 表面电荷：0

8、 复杂度：90.7

9、 同位素原子数量：0

10、 确定原子立构中心数量：1

11、 不确定原子立构中心数量：0

12、 确定化学键立构中心数量：0

13、 不确定化学键立构中心数量：0

14、 共价键单元数量：1