苄基异戊基醚

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

苄基异戊基醚 基本信息

中文名称:
苄基异戊基醚 
中文别名:
[(3-甲基丁氧基)甲基]苯;
苄基异戊基醚 
英文名称:
Benzene,[(3-methylbutoxy)methyl]-
英文别名:
Benzyl Isoamyl Ether;
Benzyl Isopentyl Ether;
BENZYL ISOAMYL ETHER;
3-methylbutoxymethylbenzene 
CAS No.:
122-73-6
分 子 式:
C12H18O
分 子 量:
178.27
精确分子量:
178.13600
PSA:
9.23000
MDL:
MFCD00048371
EINECS:
204-570-3
InChI:
The Key: RXXCIBALSKQCAE-UHFFFAOYSA-N
风险术语:
22
分子结构式:
SDS:
查看

苄基异戊基醚 制备方法及用途

制备方法

1.用氯化苄与异戊醇钠进行反应得到产物。

合成制备方法

1.用氯化苄与异戊醇钠进行反应得到产物。

用途简介

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。

用途

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。

苄基异戊基醚 物化性质

密度:
0.91
沸点:
236 °C
闪点:
93.7ºC
折射率:
1.486
蒸汽压:
0.101mmHg at 25°C
存储条件/存储方法:
通风低温干燥,与氧化剂分开存放
稳定性相关:

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。

其它信息:

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



苄基异戊基醚 安全信息

海关代码:
2909309090
RTECS号:
KM9620000

苄基异戊基醚 毒理性

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
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


苄基异戊基醚 MSDS

  Benzyl Isoamyl Ether      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Benzyl Isoamyl Ether    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 3    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
    None
  Pictograms or hazard symbols
  Signal word        Warning    
    Causes mild skin irritation
  Hazard statements
  Precautionary statements:
    If skin irritation occurs: Get medical advice/attention.
  [Response]

Section 3. 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    

Section 4. 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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Benzyl Isoamyl Ether

Section 5. 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 protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. 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.

Section 7. 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.    

Section 8. 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.

Section 9. 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

Section 10. 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:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: skn-rbt 500 mg/24H MLD
  Serious eye        No 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:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. 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.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    

Section 15. 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

苄基异戊基醚 海关数据

中国海关编码:2909309090

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
摘要/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%

苄基异戊基醚 分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

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产品介绍:
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