151-05-3 (原乙酸二甲基苄基酯,Dimethylbenzylcarbinyl acetate;1,1-Dimethyl-2-phenylethyl acetate)

CAS号:
151-05-3
中文名称:
原乙酸二甲基苄基酯
英文名称:
Dimethylbenzylcarbinyl acetate;1,1-Dimethyl-2-phenylethyl acetate
安全信息:
分子式:
C12H16O2
分子量:
192.254243850708

原乙酸二甲基苄基酯(151-05-3)名称与标识符

名称

中文别名:
原乙酸二甲基苄基酯;α,α-二甲基苯乙醇乙酸酯;乙酸二甲基苄基原酯;乙酸1,1-二甲基-2-苯基乙酯;乙酸(二甲基苄基甲)酯;乙酸Α,Α-二甲苯乙酯;Α, Α-二甲基苯乙醇醋酸酯;二甲基苄基原醇乙酯;1,1-二甲基-2-苯基乙酸乙酯;1,1-Dimethyl-2-phenylethyl Acetate 1,1-二甲基-2-苯基乙酸乙酯;1,1-二甲基-2-苯基乙基 乙酸酯;1-N-Boc-O-甲磺酰-羟乙基哌啶;2-甲基-1-(对甲苯基)-2-丙醇;二甲基苯乙醇乙酸酯;乙酸二甲基苄基酯;α,α-二甲基苯乙基醋酸酯;乙酸二甲基苄基甲醇酯;乙酸1,1-二甲基-2-苯乙酯;乙酸二甲基苄基原酯(DMBCA);1,1-二甲基-2-苯基乙基乙酸酯;乙酸二甲基苄基原醇酯;
英文别名:
Acetic acid alpha,alpha-dimethyl-beta-phenylethyl ester;alpha,alpha-dimethyl-benzeneethanoacetate;alpha,alpha-Dimethylphenethyl alcohol, acetate;alpha,alpha-dimethyl-phenethylalcohoacetate;Benzeneethanol, alpha,alpha-dimethyl-, acetate;Benzeneethanol,.alpha.,.alpha.-dimethyl-,acetate;Benzyldimethylcarbinol acetate;1,1-Dimethyl-2-phenylethyl Acetate;α,α-Dimethylphenethyl acetate;Dimethylbenzylcarbinyl Acetate;(2-methyl-1-phenylpropan-2-yl) acetate;Acetic Acid 1,1-Dimethyl-2-phenylethyl Ester;Acetic Acid α,α-Dimethylphenethyl Ester;2-Benzyl-2-propyl acetate;alpha,alpha-Dimethylphenethyl acetate;Benzyldimethylcarbinyl acetat;DMBCA;FEMA 2392;Dimethylbenzylcarbinyl;DIMETHYLBENZYLCARBINYLACETAT;DIMETHYL PHENYLETHYL ACETATE;benzyldimethylcarbinylacetate;dimethylbenzylcarbinolacetate;

标识符

MDL:
MFCD00026196
InChIKey:
FLUWAIIVLCVEKF-UHFFFAOYSA-N
Inchi:
1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
SMILES:
CC(OC(CC1C=CC=CC=1)(C)C)=O

原乙酸二甲基苄基酯(151-05-3)物化性质

实验特性

  • LogP : 2.57080
  • PSA : 26.30000
  • 折射率 : n20/D 1.4925(lit.)
  • 沸点 : 250 °C(lit.)
  • 熔点 : 31.0 to 35.0 deg-C
  • 闪点 : 华氏:206.6 °F
    摄氏:97 °C
  • FEMA : 2392
  • 颜色与性状 : 无色透明液体,似花香、果香香气。
  • 溶解性 : 溶于乙醇、大多数非挥发性油和矿物油,微溶于丙二醇,不溶于甘油和水。
  • 密度 : 0.998 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 192.11500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 192.115
  • 重原子数量 : 14
  • 复杂度 : 191
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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) : 2.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3A^2

原乙酸二甲基苄基酯(151-05-3)安全信息

原乙酸二甲基苄基酯(151-05-3)国际标准相关数据

EINECS:
205-781-3

原乙酸二甲基苄基酯(151-05-3)海关数据

海关编码:
2915390090
海关数据:

中国海关编码:

2915390090

概述:

2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

原乙酸二甲基苄基酯(151-05-3)生产方法和用途

方法:
由二甲基苄基原醇与醋酐直接酯化而成。
用途:
用于调配多种化妆、皂用和食品香精
可用来增强头香和体香,常用于风信子、玉兰、紫丁香、铃兰花香的香精配方中。此外,也可用于玫瑰、香叶、茉莉、素心兰等香精配方中,能提调香气,使之清鲜飘逸。入香水香精能赋予花香。香皂香精中、食用香精中也可用它。
GB 2760—96规定为允许使用的食用香料。主要用于配制梨、樱桃、草莓等水果型香精。

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原乙酸二甲基苄基酯(151-05-3)相关文献

原乙酸二甲基苄基酯(151-05-3)参考资料

Reaxys RN:
1941670
Beilstein:
205-781-3
PubChem CID:

原乙酸二甲基苄基酯(151-05-3) MSDS

基础信息


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : ?±,?±-Dimethylphenethyl acetate    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 151-05-3    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Skin irritation (Category 2), H315
    Eye irritation (Category 2), H319
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Xi Irritant        R36/38    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    Precautionary statement(s)
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C12H16O2    
    Molecular Weight        : 192,25 g/mol    
    CAS-No.        : 151-05-3    
    EC-No.        : 205-781-3    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  α,α-Dimethylphenethyl acetate
    CAS-No.        151-05-3        Skin Irrit. 2; Eye Irrit. 2; H315,        <= 100="">
    EC-No.        205-781-3        H319    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  α,α-Dimethylphenethyl acetate
    CAS-No.        151-05-3        Xi, R36/38        <= 100="">
    EC-No.        205-781-3    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Normal measures for preventive fire protection.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    impervious clothing, The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: colourless
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 250 °C - lit.
    boiling range
    g) Flash point        97 °C - closed cup    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,998 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents, Strong acids, Strong bases
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 3.300 mg/kg
  Skin corrosion/irritation
    Skin - rabbit
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: SG8100000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Eye Irrit.        Eye irritation    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    Skin Irrit.        Skin irritation    
  Full text of R-phrases referred to under sections 2 and 3
    Xi        Irritant    
    R36/38        Irritating to eyes and skin.    
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.