93952-11-5

• 常用中文名：邻苯二甲酸二丁酯-D4
• 常用英文名：di-n-butyl phthalate (ring-d4)
• CAS号：93952-11-5
• 分子式：C₁₆H₁₈D₄O₄
• 分子量：282.36800
• 相关类别： 化学试剂 氘代试剂
• 发布时间：2018-12-03 22:02:26
• 更新时间：2024-01-03 10:54:23
• 下载msds

名称

• 中文名: 邻苯二甲酸二丁酯-3,4,5,6-d4
• 英文名: dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
• 中文别名: 氘代邻苯二甲酸二丁酯; 邻苯二甲酸二正丁酯-d4
• 英文别名: Di-n-butyl phthalate-d4; Dibutyl phthalate-3,4,5,6-d4; MFCD00144148

物化性质

• 密度: 1.058 g/mL at 25ºC
• 沸点: 340ºC(lit.)
• 熔点: -35ºC(lit.)
• 分子式: C₁₆H₁₈D₄O₄
• 分子量: 282.36800
• 闪点: 340 °F
• 精确质量: 282.17700
• PSA: 52.60000
• LogP: 3.60040
• 折射率: n20/D 1.492(lit.)
• 储存条件:

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性: 避免接触强氧化剂， 酸，盐酸盐，氯
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：77.59

  2、 摩尔体积（m³/mol）：264.2

  3、 等张比容（90.2K）：655.6

  4、 表面张力（dyne/cm）：37.9

  5、 介电常数：无可用的

  6、 偶极距（10 ^-24cm ³）：无可用的

  7、 极化率：30.76

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:10

  5.互变异构体数量:无

  6.拓扑分子极性表面积52.6

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:271

  10.同位素原子数量:4

  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：液体

  2. 密度（g/mL 25ºC）：1.058

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC常压）：-35.0

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC，）：未确定

  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（25℃）：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(mg/mL) ：未确定

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Dibutyl phthalate-3,4,5,6-d4 : Fluka Index-No.: 607-318-00-4 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.: 93952-11-5 SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Reproductive toxicity (Category 1B), H360Df Acute aquatic toxicity (Category 1), H400 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 R61 R62 N Dangerous for theR50 environment 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 wordDanger Hazard statement(s) H360DfMay damage the unborn child. Suspected of damaging fertility. Very toxic to aquatic life. Precautionary statement(s) Obtain special instructions before use. Avoid release to the environment. P308 + P313IF exposed or concerned: Get medical advice/ attention. Supplemental Hazardnone Statements Restricted to professional users. Other hazards - none SECTION 3: Composition/information on ingredients Substances Chemical characterization : Isotopically labeled Synonyms: Di-n-butyl phthalate-d4 Di-n-butyl phthalate-d4 Formula: C16D4H18O4 Molecular Weight: 282,37 g/mol CAS-No.: 93952-11-5 Index-No.: 607-318-00-4 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration Dibutyl phthalate-3,4,5,6-d4 Included in the Candidate List of Substances of Very High Concern (SVHC) according to Regulation (EC) No. 1907/2006 (REACH) CAS-No.93952-11-5Repr. 1B; Aquatic Acute 1;<= 100 % Index-No.607-318-00-4H360Df, H400 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration Dibutyl phthalate-3,4,5,6-d4 Included in the Candidate List of Substances of Very High Concern (SVHC) according to Regulation (EC) No. 1907/2006 (REACH) CAS-No.93952-11-5T, N, Repr.Cat.2, Repr.Cat.3, <= 100 % Index-No.607-318-00-4R61 - R50 - R62 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 Flush eyes with water as a precaution. 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. Evacuate personnel to safe areas. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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 exposure - obtain special instructions before use.Avoid inhalation of vapour or mist. 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. Store under inert gas. hygroscopic 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 Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: -35 °C - lit. point f) Initial boiling point and 340 °C - lit. boiling range g) Flash pointno data available 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 densityno data available 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 no data available 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 no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation Respiratory or skin sensitisation no data available Germ cell mutagenicity 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 Presumed human reproductive toxicant 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: Not available Nausea, Dizziness, Headache 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 Very toxic to aquatic life. SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 3082IMDG: 3082IATA: 3082 UN proper shipping name ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Dibutyl phthalate- 3,4,5,6-d4) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Dibutyl phthalate- 3,4,5,6-d4) IATA:Environmentally hazardous substance, liquid, n.o.s. (Dibutyl phthalate-3,4,5,6-d4) Transport hazard class(es) ADR/RID: 9IMDG: 9IATA: 9 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: yes 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 Authorisations and/or restrictions on use Dibutyl phthalate-3,4,5,6-d4CAS-No.: 93952-11-5 Candidate List of Substances of Very High Concern for Authorisation Toxic for reproduction (article 57c) ED/67/2008 Dibutyl phthalate-3,4,5,6-d4CAS-No.: 93952-11-5 EU. REACH - Annex XIV: List of substances subject to authorisation Toxic for reproduction (category 1B) Sunset Date: 21.02.2015 Exempted (Categories of) Uses: Uses in the immediate packaging of medicinal products covered under Chemical Safety Assessment SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS08, GHS09
• 信号词: Danger
• 危害声明: H360Df-H400
• 警示性声明: P201-P273-P308 + P313
• 危害码 (欧洲): T: Toxic;N: Dangerous for the environment;
• 风险声明 (欧洲): 61-50-62
• 安全声明 (欧洲): 53-45-61
• 危险品运输编码: UN 3082 9/PG 3
• WGK德国: 2