151-05-3

• 常用中文名：乙酸二甲基苄基原酯
• 常用英文名：2-Methyl-1-phenylpropan-2-ylacetat
• CAS号：151-05-3
• 分子式：C₁₂H₁₆O₂
• 分子量：192.254
• 相关类别： 食品添加剂 食品香料 人造香料
• 发布时间：2018-07-23 15:36:08
• 更新时间：2024-01-02 14:55:14
• 【用途一】
  用于调配多种化妆、皂用和食品香精
  【用途二】
  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。
  【用途三】
  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。

名称

• 中文名: 乙酸二甲基苄基原酯
• 英文名: Dimethylbenzylcarbinyl Acetate
• 中文别名: α,α-二甲基苯乙基醋酸酯; 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; 原乙酸二甲基苄基酯
• 英文别名: Acetic Acid 1,1-Dimethyl-2-phenylethyl Ester; Acetic Acid α,α-Dimethylphenethyl Ester; 2-Methyl-1-phenylpropan-2-ylacetat; (2-methyl-1-phenylpropan-2-yl) acetate; 1,1-Dimethyl-2-phenylethyl Acetate; Dimethylbenzylcarbinyl acetate; Benzeneethanol, α,α-dimethyl-, acetate; MFCD00026196; 2-Methyl-1-phenyl-2-propanyl acetate; α,α-Dimethylphenethyl acetate; 2-Methyl-1-phenylpropan-2-yl acetate; EINECS 205-781-3

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 258.2±9.0 °C at 760 mmHg
• 分子式: C₁₂H₁₆O₂
• 分子量: 192.254
• 闪点: 101.8±17.1 °C
• 精确质量: 192.115036
• PSA: 26.30000
• LogP: 3.00
• 外观性状: 无色和透明
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.496
• 储存条件:

  密封于干燥阴凉处保存。

• 稳定性:

  常温常压下稳定。

  禁配物： 强氧化剂
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：56.07

  2、 摩尔体积（m³/mol）：191.8

  3、 等张比容（90.2K）：462.8

  4、 表面张力（dyne/cm）：33.9

  5、 极化率（10^-24cm³）：22.22

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:191

  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:

  一、物性数据：

  1.性状：无色透明液体，似花香、果香香气。

  2.密度（g/mL ,25/4℃）：0.998

  3.折射率（nD20）：1.4925

  4.闪点（°F）：206

  5.沸点（ºC）：250

  6.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。

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: α,α-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 IrritantR36/38 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 wordWarning Hazard statement(s) H315Causes skin irritation. H319Causes serious eye irritation. Precautionary statement(s) P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone 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 ComponentClassificationConcentration α,α-Dimethylphenethyl acetate CAS-No.151-05-3Skin Irrit. 2; Eye Irrit. 2; H315,<= 100 % EC-No.205-781-3H319 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration α,α-Dimethylphenethyl acetate CAS-No.151-05-3Xi, 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) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 250 °C - lit. boiling range g) Flash point97 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,998 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno 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: noIMDG Marine pollutant: noIATA: 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 H315Causes skin irritation. H319Causes serious eye irritation. Skin Irrit.Skin irritation Full text of R-phrases referred to under sections 2 and 3 XiIrritant R36/38Irritating 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.

毒性和生态

毒理学数据: 二、毒理学数据： 1 、急性毒性：大鼠经口LD50：3300 mg/kg 生态学数据: 三、生态学数据： 其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : SG8100000 CHEMICAL NAME : Phenethyl alcohol, alpha,alpha-dimethyl-, acetate CAS REGISTRY NUMBER : 151-05-3 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C12-H16-O2 MOLECULAR WEIGHT : 192.28 WISWESSER LINE NOTATION : 1VOX1&1&1R 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: 12,533,1974 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,533,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7419 No. of Facilities: 66 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2922 (estimated) No. of Female Employees: 877 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319
• 警示性声明: 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:Irritant;
• 风险声明 (欧洲): R36/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: SG8100000
• 海关编码: 2915390090

合成路线

100-86-7 108-24-7 ~94% 151-05-3

文献：Mokhtary, Masoud; Qandalee, Mohammad; Najafizadeh, Faranak Comptes Rendus Chimie, 2012 , vol. 15, # 5 p. 389 - 393

100-86-7 108-24-7 ~77% 3290-53-7 768-49-0 详细

文献：Sato, Masahiro; Matsushima, Keiichiro; Kawanami, Hajime; Ikuhsima, Yutaka Angewandte Chemie - International Edition, 2007 , vol. 46, # 33 p. 6284 - 6288

5177-66-2 100-86-7 ~84% 151-05-3

文献：Kita, Yasuyuki; Maeda, Hiroshi; Omori, Kana; Okuno, Takayuki; Tamura, Yasumitsu Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 23 p. 2999 - 3006

100-86-7 75-36-5 ~77% 151-05-3

文献：Sharghi, Hashem; Jokar, Mahboubeh; Doroodmand, Mohammad Mahdi Advanced Synthesis and Catalysis, 2011 , vol. 353, # 2-3 p. 426 - 442

108-24-7 67-64-1 6921-34-2 ~% 151-05-3

文献：Journal of Organic Chemistry, , vol. 39, p. 153 - 157

21816-03-5 64-19-7 ~% 3290-53-7 768-49-0 详细

文献：Chemistry Letters, , p. 1533 - 1536

上下游产品

上游产品  7
100-86-7 108-24-7 5177-66-2 75-36-5
67-64-1 6921-34-2 64-19-7
下游产品  5
3290-53-7 538-93-2 768-49-0 1929-33-5
100-86-7

制备

由二甲基苄基原醇与醋酐直接酯化而成。

海关

海关编码	2915390090
中文概述	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	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%