65253-04-5

65253-04-5结构式

常用中文名：(-)-8-苯基薄荷醇
常用英文名：(-)-8-Phenylmenthol
CAS号：65253-04-5
分子式：C₁₆H₂₄O
分子量：232.36100
发布时间：2018-04-11 08:00:00
更新时间：2024-01-02 21:03:42
手性不对称磷配体的合成 (–)-8-苯基薄荷醇与三氯化磷、联苯酚衍生物反应，可以得到不对称有机磷配体 (式1)。这种配体与金属Ru催化剂一起催化不对称加氢还原反应 (式2)。

作为手性诱导辅基 (–)-8-苯基薄荷醇的衍生物可作为不对称诱导的手性助剂用于不对称诱导的合成中^[3~10]，包括分子间与分子内的Diels-Alder反应、双羟基化反应，以及分子内α,β-不饱和8-苯基薄荷醇酸酯的分子内烯化。这些反应的反应速度温和、具有高立体选择性和高反应产率。8-苯基薄荷醇的α-酮酯 (如8-苯基薄荷丙酮酸酯) 被用于酮不对称加成，也适用于不对称[2+2]光催化加成和亲核烷基化反应。8-苯基薄荷醇的α-亚胺酯与烯烃的烯化可以得到高光学纯度的α-亚胺酸。在有甲基锌试剂参与下， (–)-8-苯基薄荷醇作为手性辅基可以诱导炔基锆化合物对α-酮酸酯的不对称加成 (式3)。

在4-芳基取代的哌啶合成中，有机镁试剂对不饱和醛酮的不对称Michael加成反应可受手性辅基8-苯基薄荷醇的诱导 (式4)。

在手性辅基8-苯基薄荷醇的存在下，不对称Diels-Alder环化反应是(–)-Epibatidine全合成中最关键的一步 (式5)。

化源商城直购

中文名	(-)-8-苯基薄荷醇
英文名	(-)-8-Phenylmenthol
中文别名	(-)-8-苯基(2-丙基)-5-甲基环己醇
英文别名	MFCD00010501 (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

密度	0.999 g/mL at 20 °C(lit.)
沸点	130 °C (0.7501 mmHg)
分子式	C₁₆H₂₄O
分子量	232.36100
闪点	>230 °F
精确质量	232.18300
PSA	20.23000
LogP	3.76130
外观性状	透明无色油性液体
折射率	n20/D 1.53(lit.)
储存条件	存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。
稳定性	试剂纯度通过NMR和[α]_D检验。
分子结构	1、摩尔折射率：71.97 2、摩尔体积（cm³/mol）：235.6 3、等张比容（90.2K）：568.8 4、表面张力（dyne/cm）：33.9 5、极化率（10^-24cm³）：28.53
计算化学	1.疏水参数计算参考值（XlogP）:4.5 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:17 8.表面电荷:0 9.复杂度:240 10.同位素原子数量:0 11.确定原子立构中心数量:3 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：无色油状物 2. 密度（g/mL,25/4℃）：0.999 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）：130 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：1.53 8. 闪点（ºC）：110 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（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：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：溶于大多数有机溶剂。

Name:	(-)-8-Phenylmenthol 98% Material Safety Data Sheet
Synonym:	None listed
CAS:	65253-04-5

Section 1 - Chemical Product MSDS Name:(-)-8-Phenylmenthol 98% Material Safety Data Sheet
Synonym:None listed

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
65253-04-5	(-)-8-Phenylmenthol	98	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:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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:
Cover with sand, dry lime or soda ash and place in a closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 65253-04-5: 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: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: viscous
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: immiscible
Specific Gravity/Density: 0.999 g/cm3
Molecular Formula: C15H24O
Molecular Weight: 220.35

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong 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# 65253-04-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-8-Phenylmenthol - 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.
WGK (Water Danger/Protection)
CAS# 65253-04-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 65253-04-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 65253-04-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

勿将材料排入水渠

符号	GHS07
信号词	Warning
危害声明	H315-H319-H335
警示性声明	P261-P305 + P351 + P338
个人防护装备	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲)	Xi
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S26-S36
危险品运输编码	NONH for all modes of transport
WGK德国	3
海关编码	2906299090

上游产品 6
104130-23-6 1427281-87-5 71804-27-8 81002-22-4
104130-19-0 89-82-7
下游产品 3
71804-27-8 72526-00-2 88292-41-5

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 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	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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