122-73-6

• 常用中文名：苄基异戊基醚
• 常用英文名：Benzene,[(3-methylbutoxy)methyl]-
• CAS号：122-73-6
• 分子式：C₁₂H₁₈O
• 分子量：178.27100
• 相关类别： 香精与香料 合成香料 酚类、醚类和环氧化物 醚类
• 发布时间：2018-07-22 18:17:41
• 更新时间：2024-01-02 21:11:16

• 1.用于配制栀子花香型以及相关的金银花月下香等花香型香精。化学性质稳定适合于皂用香精及香水的应用。原料与合成条件都为常规经典，故此商品20世纪30年代已普遍被使用。

  2.用于配制栀子花香型以及相关的金银花、月下香等花香型香精。适合于皂用香精及香水的应用。
  

名称

• 中文名: [(3-甲基丁氧基)甲基]苯
• 英文名: Benzyl Isoamyl Ether
• 中文别名: 苄基异戊基醚
• 英文别名: 3-methylbutoxymethylbenzene; MFCD00048371; BENZYL ISOAMYL ETHER; Benzyl Isopentyl Ether; EINECS 204-570-3

物化性质

• 密度: 0.91
• 沸点: 236 °C
• 分子式: C₁₂H₁₈O
• 分子量: 178.27100
• 闪点: 93.7ºC
• 精确质量: 178.13600
• PSA: 9.23000
• LogP: 3.24930
• 外观性状: 无色-几乎无色透明液体
• 蒸汽压: 0.101mmHg at 25°C
• 折射率: 1.486
• 储存条件:

  盛满贮放阴凉避光通风处。

• 稳定性:

  无色透明液体。强烈的果香和蜜甜香，略带清香，稀释后有栀子花样香气。与栀子花精油中芳樟醚，玫瑰醚惕恪酸酯类的配合协调更显示出甜鲜花香韵与清甜果香的特质。

• 分子结构:

  1、 摩尔折射率：56.03

  2、 摩尔体积（cm³/mol）：195.0

  3、 等张比容（90.2K）：460.0

  4、 表面张力（dyne/cm）：30.9

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：22.21

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积9.2

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:114

  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：无色透明液体。强烈的果香和蜜甜香，略带清香，稀释后有栀子花样香气。与栀子花精油中芳樟醚，玫瑰醚惕恪酸酯类的配合协调更显示出甜鲜花香韵与清甜果香的特质。

  2、沸点（℃）：237

  3. 相对密度（20℃，4℃）：0.9098

  4. 相对密度（25℃，4℃）：0.9048

  5. 常温折射率（n²⁰）：1.4792

  6. 常温折射率（n²⁵）：1.4772

MSDS

Benzyl Isoamyl Ether Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Benzyl Isoamyl Ether Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 3 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements None Pictograms or hazard symbols Signal wordWarning Causes mild skin irritation Hazard statements Precautionary statements: If skin irritation occurs: Get medical advice/attention. [Response] Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Benzyl Isoamyl Ether Percent:>98.0%(GC) CAS Number:122-73-6 Benzyl Isopentyl Ether Synonyms: Chemical Formula:C12H18O Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Get medical advice/attention if you feel unwell. Rinse mouth. Ingestion: Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, carbon dioxide. media: Unsuitable extinguishing Water (It may scatter and spread fire.) media: Benzyl Isoamyl Ether Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Colorless - Almost colorless Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available 236°C Boiling point/range: Flash point:110°C Flammability or explosive limits: No data available Lower: Upper:No data available 0.91 Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available Benzyl Isoamyl Ether Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: skn-rbt 500 mg/24H MLD Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available KM9620000 RTECS Number: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Benzyl Isoamyl Ether SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激：兔子皮肤标准德雷兹染眼实验：500mg/24H 对眼睛有轻微的影响。 2、急性毒性：大鼠口服LD50mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : KM9620000 CHEMICAL NAME : Ether, benzyl isopentyl CAS REGISTRY NUMBER : 122-73-6 BEILSTEIN REFERENCE NO. : 2251737 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C12-H18-O MOLECULAR WEIGHT : 178.30 WISWESSER LINE NOTATION : 1Y1&2O1R 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: 16,647,1978

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 22
• RTECS号: KM9620000
• 海关编码: 2909309090

合成路线

94231-95-5 ~59% 122-73-6 1755-43-7 100-52-7

文献：Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 24, p. 199 - 200

123-51-3 100-51-6 ~% 122-73-6

文献：Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 178, p. 1415 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 188, p. 1075

94231-95-5 ~% 94-46-2 122-73-6 100-52-7

文献：Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 24, p. 519 - 522

123-51-3 ~% 122-73-6

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 56, p. 441

123-51-3 100-44-7 ~% 122-73-6

文献：Gazzetta Chimica Italiana, , vol. 17, p. 198,202

100-44-7 19533-24-5 ~% 122-73-6

文献：Science Reports of National Tsing Hua University, Series A: Mathematical, Physical, and Engineering Sciences, , vol. 1, p. 193

94231-95-5 ~% 94-46-2 122-73-6 103-38-8 详细

文献：Journal of the Indian Chemical Society, , vol. 63, p. 820 - 822

123-51-3 100-51-6 ~% 544-01-4 103-50-4 详细

文献：Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 178, p. 1415 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 188, p. 1075

制备

1.用氯化苄与异戊醇钠进行反应得到产物。

海关

海关编码	2909309090
中文概述	2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%