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| 中文名 | γ-丁内酯-D6 |
|---|---|
| 英文名 | 3,3,4,4,5,5-hexadeuteriooxolan-2-one |
| 中文别名 | γ-丁内酯-d6 |
| 英文别名 |
|A-Butyryllactone-d6
1,4-Butanolide-d6 dihydro-2(3H)furanone-[3,3,4,4,5,5-D6] Dihydro-2(3H)-furanone-d6 |A-Butyrolactone-d6 2-Oxotetrahydrofuran-d6 MFCD00190397 1-Oxacyclopentan-2-one-d6 |
| 密度 | 1.197 g/mL at 25ºC |
|---|---|
| 沸点 | 204-205ºC(lit.) |
| 熔点 | -45ºC(lit.) |
| 分子式 | C4D6O2 |
| 分子量 | 92.12620 |
| 闪点 | 208 °F |
| 精确质量 | 92.07440 |
| PSA | 26.30000 |
| LogP | 0.32340 |
| 折射率 | n20/D 1.436(lit.) |
| 储存条件 | 室温，密封，干燥 |
| 分子结构 | 五、分子性质数据： 1、 摩尔折射率：20.18 2、 摩尔体积（m3/mol）：76.2 3、 等张比容（90.2K）：186.0 4、 表面张力（dyne/cm）：35.4 5、 介电常数：无可用的 6、 偶极距（10 -24cm 3）：无可用的 7、 极化率：8.00 |
| 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:2 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积26.3 7.重原子数量:6 8.表面电荷:0 9.复杂度:67.9 10.同位素原子数量:6 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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SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers : γ-Butyrolactone-d6 Product name 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.: 77568-65-1 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 Acute toxicity, Oral (Category 4), H302 Serious eye damage (Category 1), H318 Specific target organ toxicity - single exposure (Category 3), H336 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 Xn HarmfulR22, R41, R67 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) H302Harmful if swallowed. H318Causes serious eye damage. H336May cause drowsiness or dizziness. Precautionary statement(s) P261Avoid breathing vapours. P280Wear protective gloves/ eye protection/ face protection. 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 Chemical characterization : Isotopically labeled Formula: C4D6O2 Molecular Weight: 92,13 g/mol CAS-No.: 77568-65-1 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration γ-Butyrolactone-d6 CAS-No.77568-65-1Acute Tox. 4; Eye Dam. 1;<= 100 % STOT SE 3; H302, H318, H336 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration γ-Butyrolactone-d6 CAS-No.77568-65-1Xn, R22 - R41 - R67<= 100 % 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 no data available 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 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. 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) A part 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 Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. 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. Body Protection Complete suit protecting against chemicals, 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, clear Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: -45 °C - lit. point f) Initial boiling point and 204 - 205 °C - lit. boiling range g) Flash point98,00 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerUpper explosion limit: 16,00 %(V) flammability orLower explosion limit: 1,40 %(V) explosive limits k) Vapour pressure2,0 hPa at 20,00 °C l) Vapour densityno data available m) Relative density1,197 g/mL at 25 °C1,197 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n- log Pow: -0,570 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 acids, Strong bases, Strong oxidizing agents, Strong reducing agents, Zinc, Plastics Hazardous 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 - 1.540 mg/kg Remarks: Behavioral:Altered sleep time (including change in righting reflex). Behavioral:Somnolence (general depressed activity). Respiratory disorder LC50 Inhalation - rat - 4,00 h - > 5.100 mg/m3 LD50 Dermal - guinea pig - > 5.000 mg/kg Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity This product is or contains a component that is not classifiable as to its carcinogenicity based on its IARC, ACGIH, NTP, or EPA classification. 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 May cause drowsiness or dizziness. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available an anesthetic effect on the central nervous system characterized by a loss of sensation., Preliminary excitement is the initial effect followed by relaxation, stupor, or sleep., Nausea, Dizziness, Headache SECTION 12: Ecological information Toxicity 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. 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. Acute Tox.Acute toxicity Eye Dam.Serious eye damage H302Harmful if swallowed. H318Causes serious eye damage. H336May cause drowsiness or dizziness. STOT SESpecific target organ toxicity - single exposure Full text of R-phrases referred to under sections 2 and 3 Xn Harmful R22 Harmful if swallowed. R41 Risk of serious damage to eyes. R67 Vapours may cause drowsiness and dizziness. Further information Copyright 2013 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. |
| 符号 |
GHS05, GHS07 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H302-H318-H336 |
| 警示性声明 | P261-P280-P305 + P351 + P338 |
| 危害码 (欧洲) | Xn: Harmful; |
| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | 26-36 |
| 危险品运输编码 | NONH for all modes of transport |
|
~99%
77568-65-1 |
| 文献：Frediani, Piero; Rosi, Luca; Frediani, Marco; Bartolucci, Gianluca; Bambagiotti-Alberti, Massimo Journal of Agricultural and Food Chemistry, 2007 , vol. 55, # 10 p. 3877 - 3883 |
|
~63%
77568-65-1 |
| 文献：Von Seebach, Malte; Kozhushkov, Sergei I.; Schill, Heiko; Frank, Daniel; Boese, Roland; Benet-Buchholz, Jordi; Yufit, Dmitry S.; De Meijere, Armin Chemistry - A European Journal, 2007 , vol. 13, # 1 p. 167 - 177 |
