98819-68-2 (3-苯基缩水甘油,((2R,3R)-3-Phenyloxiran-2-yl)methanol)

CAS号:
98819-68-2
中文名称:
3-苯基缩水甘油
英文名称:
((2R,3R)-3-Phenyloxiran-2-yl)methanol
分子式:
C9H10O2
分子量:
150.174502849579

3-苯基缩水甘油(98819-68-2)名称与标识符

名称

中文别名:
(2R,3R)-3-苯基甘油醇;3-苯基缩水甘油;((2R,3R)-3-苯基环氧乙烷-2-基)甲醇;
英文别名:
((2R,3R)-3-Phenyloxiran-2-yl)methanol;(2R,3R)-3-Phenylglycidol;2-Oxiranemethanol,3-phenyl-, (2R,3R)-;(+)-((2R,3R)-trans-3-phenyloxiran-2-yl)methanol;(+)-(2R,3R)-2,3-epoxycinnamyl alcohol;(+)-(2R,3R)-cinnamylalcohol 2,3-epoxide;(+)-(2R,3S)-2,3-epoxycinnamyl alcohol;(2R,3R)-2,3-epoxy-3-phenyl-1-propanol;(2R,3R)-trans-3-phenyloxirane-2-methanol;3-Phenyloxiranemethanol (2R-trans);Oxiranemethanol,3-phenyl-,(2R-trans);((2R,3R)-3-Phenyloxiranyl)methanol;(2R,3R)-(+)-3-Phenylglycidol;105663-44-3;Oxiranemethanol, 3-phenyl-, (2R,3R)-;BRN 5253267;SCHEMBL3191462;Oxiranemethanol, 3-phenyl-, (2R-trans)-;[(2R,3R)-3-phenyloxiran-2-yl]methanol;Rel-((2R,3S)-3-phenyloxiran-2-yl)methanol;40641-81-4;DTXSID60243830;(trans-3-phenyl-oxiran-2-yl)-methanol;98819-68-2;(2R,3R)-3-phenyl-2-oxiranemethanol;(2R-trans)-3-phenyloxiranemethanol;J-640385;(2R,3R)-2,3-Epoxy-3-phenylpropanol;Rel-((2R,3R)-3-phenyloxiran-2-yl)methanol;J-500973;(2R,3R)-rel-3-phenyl-2-oxiranemethanol;trans-(2r,3r)-3-phenylglycidol;PVALSANGMFRTQM-RKDXNWHRSA-N;(2R,3R)-(+)-2,3-Epoxy-3-phenyl-1-propanol;CS-0356860;J-800391;J-500968;(2r, 3r)-3-phenylglycidol;3-Phenyloxiranemethanol (2R-trans)-;AKOS017345048;

标识符

MDL:
MFCD00010838
InChIKey:
PVALSANGMFRTQM-RKDXNWHRSA-N
Inchi:
1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m1/s1
SMILES:
O1[C@H](CO)[C@H]1C1C=CC=CC=1

3-苯基缩水甘油(98819-68-2)物化性质

实验特性

  • LogP : 1.11880
  • PSA : 32.76000
  • 折射率 : 1.5230 (estimate)
  • 沸点 : 278 ºC
  • 熔点 : 49-53 °C
  • 闪点 : 130 ºC
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.182

计算特性

  • 精确分子量 : 150.06800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 150.068
  • 重原子数量 : 11
  • 复杂度 : 130
  • 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) : 0.8
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 32.8

3-苯基缩水甘油(98819-68-2)安全信息

3-苯基缩水甘油(98819-68-2)海关数据

海关编码:
2910900090
海关数据:

中国海关编码:

2910900090

概述:

2910900090. 三节环环氧化物,环氧醇(酚,醚),包括其卤化,磺化,硝化或亚硝化的衍生物. 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:

2910900090. epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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3-苯基缩水甘油(98819-68-2)相关文献

3-苯基缩水甘油(98819-68-2) MSDS

基础信息

Name:(2R 3R)-3-Phenyl Glycidol 96% (GC) Material Safety Data Sheet
Synonym:None Known
CAS:98819-68-2
Section 1 - Chemical Product ? MSDS Name:(2R 3R)-3-Phenyl Glycidol 96% (GC) Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
98819-68-2(2R,3R)-3-Phenyl Glycidol96%unlisted
Hazard Symbols: T C
Risk Phrases: 21/22 34 45 46

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed. Causes burns. May cause cancer. May cause heritable genetic damage.Corrosive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system effects. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. May cause systemic effects. Central nervous system effects, which appear to predominate in acute cases are characterized by abnormal fatigue, memory difficulties and dizziness.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
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. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Deep freeze (below -20C).

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# 98819-68-2: 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:
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: Powder
Color: very slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10O2
Molecular Weight: 150.18

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 98819-68-2: RR0511120 LD50/LC50:
Not available.
Carcinogenicity:
(2R,3R)-3-Phenyl Glycidol - 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
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T C
Risk Phrases:
R 45 May cause cancer.
R 46 May cause heritable genetic damage.
R 21/22 Harmful in contact with skin and if
swallowed.
R 34 Causes burns.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 98819-68-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 98819-68-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98819-68-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A