120850-91-1 (鹤庆五味子癸素,1,2-Ethanediol,1,2-dicyclohexyl-, (1S,2S)-)

CAS号:
120850-91-1
中文名称:
鹤庆五味子癸素
英文名称:
1,2-Ethanediol,1,2-dicyclohexyl-, (1S,2S)-
分子式:
C14H26O2
分子量:
226.355044841766

鹤庆五味子癸素(120850-91-1)名称与标识符

名称

中文别名:
(S,S)-(+)-1,2-二环己基-1,2-乙二醇;(S,s)-(+)-1,2-二环己基-1,2-乙烷二醇;鹤庆五味子癸素;
英文别名:
1,2-Ethanediol,1,2-dicyclohexyl-, (1S,2S)-;(S,S)-(+)-1,2-DICYCLOHEXYL-1,2-ETHANEDIOL;(-)-1,2-dicyclohexyl-1,2-ethanediol;(1S,2S)-1,2-dicyclohexyl-1,2-ethanediol;(1S,2S)-1,2-dicyclohexylethane-1,2-diol;(R,R)-1,2-dicyclohexylethane-1,2-diol;(S,S)-1,2-dicyclohexyl-1,2-ethanediol;(S,S)-1,2-dicyclohexylethane-1,2-diol;(1S,2S)-(+)-1,2-DICYCLOHEXYL-1,2-ETHANEDIOL;(S,S)-(+)-1,2-Dicyclohexyl-1,2-ethanediol,99%;120850-91-1;SCHEMBL2341486;

标识符

InChIKey:
CKHLARJSOMXDKL-KBPBESRZSA-N
Inchi:
1S/C14H26O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-16H,1-10H2/t13-,14-/m0/s1
SMILES:
O[C@H]([C@H](C1CCCCC1)O)C1CCCCC1

鹤庆五味子癸素(120850-91-1)物化性质

实验特性

  • LogP : 2.86880
  • PSA : 40.46000
  • 沸点 : 373°Cat760mmHg
  • 熔点 : 136-141 °C
  • 闪点 : 179.8°C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.193

计算特性

  • 精确分子量 : 226.19300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 214.09938
  • 重原子数量 : 16
  • 复杂度 : 171
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.6
  • 拓扑分子极性表面积 : 40.5

鹤庆五味子癸素(120850-91-1)安全信息

鹤庆五味子癸素(120850-91-1)相关文献

鹤庆五味子癸素(120850-91-1) MSDS

基础信息

Name:(S S)-(+)-1 2-Dicyclohexyl-1 2-ethanediol 99% Material Safety Data Sheet
Synonym:None Known
CAS:120850-91-1
Section 1 - Chemical Product ? MSDS Name:(S S)-(+)-1 2-Dicyclohexyl-1 2-ethanediol 99% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
120850-91-1(S,S)-(+)-1,2-Dicyclohexyl-1,2-ethaned99%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. 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.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. 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 or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 120850-91-1: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 136 - 141 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H26O2
Molecular Weight: 226.1808

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
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# 120850-91-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S,S)-(+)-1,2-Dicyclohexyl-1,2-ethanediol - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 120850-91-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 120850-91-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 120850-91-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A