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相关CAS号：
2160-94-3 917022-13-0
1529782-10-2 1449586-26-8
883864-61-7 343373-27-3
302912-37-4 302912-36-3
314727-33-8 126-81-8

2160-94-3

2160-94-3结构式
2160-94-3结构式

化源商城直购

中文名 3-环己基-1,1-二甲醇
英文名 [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
中文别名 3-环己烯-1,1-二甲醇
环己烯-1,1-二甲基醇
英文别名 3-CYCLOHEXENE-1,1-DIMETHANOL
EINECS 218-481-2
cyclohex-3-ene-1,1-diyldimethanol
MFCD00001575
Cyclohex-2-ene-1,1-dimethanol
密度 1.05g/cm3
沸点 115ºC (0.4 mmHg)
熔点 88-90ºC(lit.)
分子式 C8H14O2
分子量 142.19600
闪点 105ºC
精确质量 142.09900
PSA 40.46000
LogP 0.69750
蒸汽压 0.0119mmHg at 25°C
折射率 1.497
储存条件

密封储存，储存于阴凉、干燥的库房。

稳定性 常温常压下稳定，避免与不相容材料，强氧化剂接触。

与强氧化剂反应。
计算化学

1.疏水参数计算参考值（XlogP）:0.5

2.氢键供体数量:2

3.氢键受体数量:2

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40.5

7.重原子数量:10

8.表面电荷:0

9.复杂度:125

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
更多

1. 性状：亮米色结晶性粉末

2. 密度（g/mL,25℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：88-90

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC, 0.4mmHg）：115

7. 折射率(n20/D)：未确定

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（mmHg,25ºC）：未确定

12. 饱和蒸气压（kPa,25ºC）：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：溶于水

Name: 3-Cyclohexene-1 1-dimethanol 98% Material Safety Data Sheet
Synonym: 4,4-Bis(hydroxymethyl)-1-cyclohexene; 1,1-bis(Hydroxymethyl)-3-cyclohexene; 4,4-bis(Hydroxymethyl)cyclohexen
CAS: 2160-94-3
Section 1 - Chemical Product MSDS Name:3-Cyclohexene-1 1-dimethanol 98% Material Safety Data Sheet
Synonym:4,4-Bis(hydroxymethyl)-1-cyclohexene; 1,1-bis(Hydroxymethyl)-3-cyclohexene; 4,4-bis(Hydroxymethyl)cyclohexen
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2160-94-3 3-Cyclohexene-1,1-dimethanol 98.0 218-481-2
Hazard Symbols: XN
Risk Phrases: 20/21
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May be harmful if absorbed through the skin.
Ingestion:
May be harmful if swallowed.
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:
Antidote: None reported.
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.
Extinguishing Media:
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. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 2160-94-3: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate 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: Crystalline powder
Color: White - Beige Crystalline Powder
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 88.00 - 90.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H14O2
Molecular Weight: 142.20
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, 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# 2160-94-3: GW6050000 LD50/LC50:
CAS# 2160-94-3: Oral, mouse: LD50 = 1750 mg/kg; Oral, rabbit: LD50 = 3400 mg/kg; Oral, rat: LD50 = 1750 mg/kg.
Carcinogenicity:
3-Cyclohexene-1,1-dimethanol - 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 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2160-94-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2160-94-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2160-94-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性：大鼠经口LD50：1750mg/kg；小鼠经口LD50：1750mg/kg；兔子经口LD50：3400mg/kg；豚鼠经口LD50：2150mg/kg；

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW6050000
CHEMICAL NAME :
3-Cyclohexene-1,1-dimethanol
CAS REGISTRY NUMBER :
2160-94-3
BEILSTEIN REFERENCE NO. :
2040659
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H14-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,27,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,27,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,27,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,27,1982

危害码 (欧洲) Xn: Harmful;
风险声明 (欧洲) 22
安全声明 (欧洲) S24/25
WGK德国 3
RTECS号 GW6050000
海关编码 2906199090
海关编码 2906199090
中文概述 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
Summary 2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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