128-50-7

128-50-7结构式

常用中文名：6,6-二甲基-二环[3.1.1]庚-2-烯-2-乙醇
常用英文名：nopol
CAS号：128-50-7
分子式：C₁₁H₁₈O
分子量：166.26000
发布时间：2018-11-23 14:56:45
更新时间：2024-01-02 21:35:35
手性化合物制备材料。

中文名	6,6-二甲基二环[3.1.1]庚-2-烯-2-乙醇
英文名	nopol
中文别名	6,6-二甲基-二环[3.1.1]庚-2-烯-2-乙醇
英文别名	6,6-dimethyl-2-norpinene-2-ethano Homomyrtenol 6,6-DIMETHYL-2-NORPINENE-2-ETHANOL EINECS 204-890-3 MFCD00066419 nopyl alcohol 10-HYDROXYMETHYLENE-2-PINENE METHYLOL PINENE Homomyretenol

密度	0.978g/cm3
沸点	235ºC at 760mmHg
分子式	C₁₁H₁₈O
分子量	166.26000
闪点	98.9ºC
精确质量	166.13600
PSA	20.23000
LogP	2.36120
蒸汽压	0.00937mmHg at 25°C
折射率	1.492-1.494
储存条件	密封贮藏，储存在阴凉、干燥地方，远离火源。
稳定性	1.常温常压下稳定，避免与不相容材料接触。 2. 与强氧化剂反应。 3. 存在于主流烟气中。
分子结构	1、摩尔折射率：50.11 2、摩尔体积（cm³/mol）：169.9 3、等张比容（90.2K）：404.6 4、表面张力（dyne/cm）：32.1 5、介电常数：无可用的 6、极化率（10^-24cm³）：19.86 7、单一同位素质量：166.135765 Da 8、标称质量：166 Da 9、平均质量：166.26 Da
计算化学	1.疏水参数计算参考值（XlogP）:2.1 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:2 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:12 8.表面电荷:0 9.复杂度:215 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:2 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：无色或浅黄色透明液体 2. 密度（g/mL,20℃）：0.9658 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）：235， 110ºC(1333pa) 6. 沸点（ºC,8mmHg）：未确定 7. 折射率(n20/D)：1.492-1.494（lit.） 8. 闪点（ºC）：98 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（mmHg,20ºC）：未确定 12. 饱和蒸气压（kPa,83-85ºC）：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

Name:	Nopol 98% Material Safety Data Sheet
Synonym:	6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-ethanol; Bicyclo 3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-; 6,6-Dimethyl-2-norphinene-2-ethanol; 2-Norpinene-2-ethanol, 6,6-dimethyl
CAS:	128-50-7

Section 1 - Chemical Product MSDS Name:Nopol 98% Material Safety Data Sheet
Synonym:6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-ethanol; Bicyclo 3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-; 6,6-Dimethyl-2-norphinene-2-ethanol; 2-Norpinene-2-ethanol, 6,6-dimethyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
128-50-7	Nopol	98	204-890-3

Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes moderate skin irritation.
Ingestion:
May be harmful if swallowed. Causes digestive tract irritation.
Inhalation:
Causes 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.
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. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. 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. Do not ingest or inhale.
Storage:
Keep container closed when not in use. 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# 128-50-7: 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: Viscous liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 230.0 - 240.0 deg C @ 760.00m
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 98 deg C ( 208.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9730g/cm3
Molecular Formula: C11H18O
Molecular Weight: 166.26

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
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# 128-50-7: RC8870000 LD50/LC50:
CAS# 128-50-7: Draize test, rabbit, skin: 500 mg/24H Moderate; Oral, rat: LD50 = 890 mg/kg; Skin, rabbit: LD50 = >5 gm/kg.
Carcinogenicity:
Nopol - 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
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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 128-50-7: No information available.
Canada
CAS# 128-50-7 is listed on Canada's DSL List.
CAS# 128-50-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 128-50-7 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、皮肤/眼睛刺激性

标准的Draize试验：兔子，皮肤接触：500mg/24H；反应的严重程度：中度。

2、急性毒性：大鼠经口LD50：890mg/kg；小鼠经肌肉注射LD50：500mg/kg；兔子经皮肤接触LD50：>5mg/kg；

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RC8870000

CHEMICAL NAME :: 2-Norpinene-2-ethanol, 6,6-dimethyl-

CAS REGISTRY NUMBER :: 128-50-7

LAST UPDATED :: 199701

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C11-H18-O

MOLECULAR WEIGHT :: 166.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,879,1979 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 890 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,879,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. (New Delhi, India) V.14-21, 1955-62. For publisher information, see IJEBA6. Volume(issue)/page/year: 21,342,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,879,1979

危害码 (欧洲)	Xn: Harmful;
风险声明 (欧洲)	R22

50-00-0

177698-19-0

~99%

128-50-7

文献：Pillai, Unnikrishnan R; Sahle-Demessie, Endalkachew Chemical communications (Cambridge, England), 2004 , # 7 p. 826 - 827

50-00-0

177698-19-0

79-92-5

128-50-7

文献：Wang, Xueyan; Wang, Tao; Hua, Weiming; Yue, Yinghong; Gao, Zi Catalysis Communications, 2014 , vol. 43, p. 97 - 101

128-51-8

~86%

128-50-7

文献：Ashcroft, Martyn R.; Bougeard, Peter; Bury, Adrian; Cooksey, Christopher J.; Johnson, Michael D. Journal of Organometallic Chemistry, 1985 , vol. 289, p. 403 - 416

177698-19-0

128-50-7

文献：Watanabe,S. Bulletin of the Chemical Society of Japan, 1965 , vol. 38, p. 1231 - 1235

上游产品 2
50-00-0 128-51-8
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