925-93-9 (氘代乙醇-d1,Ethanol-d)

CAS号:
925-93-9
中文名称:
氘代乙醇-d1
英文名称:
Ethanol-d
安全信息:
分子式:
C2H6O
分子量:
47.0746026039124

氘代乙醇-d1(925-93-9)名称与标识符

名称

中文别名:
乙醇-D1;氚代已醇;氘代乙醇;氘代乙醇-D;氘代乙醇-d1;重氢乙醇;
英文别名:
Ethanol-d (9CI);Ethanol-d;1,1,1,3,3,3-Hexafluoro-2-propan(ol-d);1,1,1,3,3,3-Hexafluoro-2-propanol-d(1);1,1,1,3,3,3-hexafluoropropan-2-ol-d1;deutero ethanol;d-Hexafluorpropanol-2;ETHAN(OL-D);ethan[2H]ol;ETHANOL D1;ETHANOL-D1;ETHANOL-D1, (CONTAINS 5 PERCENT D2O);ethanol-O-d;ethyl alcohol-d;ETHYL ALCOHOL-OD;Hexafluorisopropylalkohol-d(1);hexafluoroisopropan(ol-d);O-deuterio-1,1,1,3,3,3-hexafluoro-propan-2-ol;O-deuterioethanol;Ethyl alcohol-d (6CI, 8CI);Ethanol (C2H5OD);Ethanol-OD;EtOD;EINECS 213-128-9;Ethan(~2~H)ol;Ethanol-OD, 99 atom % D;Ethanol-OD, 95% in D2O, 99 atom % D;DTXSID50919138;E0221;AKOS015902634;Ethyl (2)alcohol;LFQSCWFLJHTTHZ-WFVSFCRTSA-N;ethan(?H)ol;Ethanol-d(9ci);Ethanol-OD, >=99.5 atom % D;925-93-9;Ethyl alcohol-d, anhydrous;deuteriooxyethane;MFCD00044669;E79204;

标识符

MDL:
MFCD00044669
InChIKey:
LFQSCWFLJHTTHZ-WFVSFCRTSA-N
Inchi:
1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D
SMILES:
C(O[2H])C

氘代乙醇-d1(925-93-9)物化性质

实验特性

  • LogP : -0.00140
  • PSA : 20.23000
  • 折射率 : n20/D 1.359(lit.)
  • 沸点 : 78 °C(lit.)
  • 熔点 : -114 °C (lit.)
  • 闪点 : 华氏:57.2 °F
    摄氏:14 °C
  • 浓度 : 95% in D2O
  • 颜色与性状 : 未确定
  • PH值 : 7.0 (10g/l, H2O, 20℃)
  • 稳定性 : Stable. Highly flammable. Incompatible with oxidizing agents, acids, acid chlorides, alkali metals, ammonia, moisture, peroxides.
  • 溶解性 : 未确定
  • 密度 : 0.806 g/mL at 25 °C

计算特性

  • 精确分子量 : 47.04810
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 47.048141557g/mol
  • 重原子数量 : 3
  • 复杂度 : 2.8
  • 同位素原子数量 : 1
  • 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) : -0.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 20.2Ų

氘代乙醇-d1(925-93-9)安全信息

氘代乙醇-d1(925-93-9)国际标准相关数据

EINECS:
213-128-9

氘代乙醇-d1(925-93-9)海关数据

海关编码:
28459000

氘代乙醇-d1(925-93-9)推荐厂家 更多厂家(36)

公司名称手机号/电话联系人QQ微信询单
热耳科技(上海)有限公司 15800436310
021-64400900
吴经理 939574626
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热耳科技(上海)有限公司 15800436310
021-64400900
吴经理 939574626
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湖北诺纳科技有限公司 17386169806
027-59209883
张经理 1141855188
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上海创赛科技有限公司 15021221957
021-59553580
凌度 2852351983
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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上海甄准生物科技有限公司 19301255008
021-68920155
徐经理19301255008 3004957527
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上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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上海颖心实验室设备有限公司 17002132182
021-59178156
江玮倩 3146474380
询单

氘代乙醇-d1(925-93-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Preparation of mono-deuterated ethanol
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of deuterated compounds by tower equipment
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Ethanol as a Hydrogenating Agent: Palladium-Catalyzed Stereoselective Hydrogenation of Ynamides to Give Enamides
Siva Reddy, Alla; Kumara Swamy, K. C., Angewandte Chemie, 2017, 56(24), 6984-6988
合成路线:1 步
反应条件:
参考文献:
Actinide-Catalyzed Intermolecular Addition of Alcohols to Carbodiimides
Batrice, Rami J.; Kefalidis, Christos E.; Maron, Laurent; Eisen, Moris S., Journal of the American Chemical Society, 2016, 138(7), 2114-2117
合成路线:1 步
反应条件:
参考文献:
Pincer Ru and Os complexes as efficient catalysts for racemization and deuteration of alcohols
Bossi, Gianluca; Putignano, Elisabetta; Rigo, Pierluigi; Baratta, Walter, Dalton Transactions, 2011, 40(35), 8986-8995
合成路线:1 步
反应条件:
参考文献:
Preparation of the α-[D]galvinoxyl radical
Tsiao, C.; Wild, C.; Gu, J.; Dorn, H. C., Journal of Labelled Compounds and Radiopharmaceuticals, 1991, 29(8), 945-8
合成路线:1 步
反应条件:
参考文献:
Reaction of protonated tert-butoxy radicals with alkynes. Electron spin resonance spectra of alkoxyalkene and 1,2-dialkoxyalkene radical cations
Bloodworth, A. J.; Davies, Alwyn G.; Hay-Motherwell, Robyn S., Journal of the Chemical Society, 1988, (13), 862-3
合成路线:1 步
反应条件:
参考文献:
An improved procedure for the preparation of very pure ethanol-OD
Pesendorfer, Johann; Vierhapper, Friedrich W., Monatshefte fuer Chemie, 1985, 116(6-7), 877-8
合成路线:1 步
参考文献:
Effect of selenium on the catalytic reactivity of iron(II) chloride in the reduction of aromatic epoxide to olefin
Yanada, Kazuo; Yanada, Reiko; Meguri, Haruo, Chemical & Pharmaceutical Bulletin, 1989, 37(12), 3423-5
合成路线:1 步
参考文献:
Stereochemistry of nucleophilic conjugate addition. Addition of ethanol-d and 2-methyl-2-propanethiol-d to ethyl crotonate
Mohrig, Jerry R.; Fu, Sabrina S.; King, Randall W.; Warnet, Ronald; Gustafson, Gary, Journal of the American Chemical Society, 1990, 112(9), 3665-7
合成路线:1 步
参考文献:
Metal catalysis in oxidation by peroxides. Part 19. On the mechanism of rhodium-catalyzed oxidation of terminal olefins to methyl ketones by dioxygen
Bortolini, Olga; Di Furia, Fulvio; Modena, Giorgio; Seraglia, Roberta, Journal of Molecular Catalysis, 1984, 22(3), 313-17
合成路线:1 步
参考文献:
Synthesis of ethanol-d
Pasto, Daniel J.; Meyer, Gilbert Richard, Journal of Organic Chemistry, 1968, 33(3),
合成路线:1 步
参考文献:
Deuterated alcohols
Beger, Joerg, Abhandlungen der Deutschen Akademie der Wissenschaften zu Berlin, 1965, 9(1963), 693-9
合成路线:1 步
参考文献:
Spirans. IV. Long range shielding effects by benzene, thiophene, and furan rings in the proton magnetic resonance spectra of diaryl spiro ketones
de Jongh, H. A. P.; Wynberg, H., Tetrahedron, 1965, 21(3), 515-33
合成路线:1 步
反应条件:
参考文献:
Carbon-hydrogen activation in aqueous medium. The diverse roles of platinum(II) and metallic platinum in the catalytic and stoichiometric oxidative functionalization of organic substrates including alkanes
Sen, Ayusman; Lin, Minren; Kao, Lien Chung; Hutson, Alan C., Journal of the American Chemical Society, 1992, 114(16), 6385-92
合成路线:1 步
反应条件:
参考文献:
On the tandem Morita-Baylis-Hillman/transesterification processes. Mechanistic insights for the role of protic solvents
Carpanez, Arthur G.; Coelho, Fernando; Amarante, Giovanni W., Journal of Molecular Structure, 2018, 1154, 83-91
合成路线:1 步
反应条件:
参考文献:
Synthesis, reactivity and catalytic properties of the allenylidene [Ru(C:C:CPh2)Cp(PTA)(PPh3)](CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane)
Serrano-Ruiz, Manuel; Lidrissi, Chaker; Manas, Sonia; Peruzzini, Maurizio; Romerosa, Antonio, Journal of Organometallic Chemistry, 2014, 751, 654-661
合成路线:1 步
反应条件:
参考文献:
Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R')] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands
Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R., Organometallics, 2013, 32(13), 3744-3752
合成路线:1 步
反应条件:
参考文献:
Ruthenium-catalyzed selective transetherification of substituted vinyl ethers to form acetals and aldehydes
Saoud, Mustapha; Romerosa, Antonio; Carpio, Sonia Manas; Gonsalvi, Luca; Peruzzini, Maurizio, European Journal of Inorganic Chemistry, 2003, (8), 1614-1619
合成路线:1 步
反应条件:
参考文献:
Valuable new platform chemicals obtained by valorisation of a model succinic acid and bio-succinic acid with an ionic liquid and high-pressure carbon dioxide
Silva, Daniel; Bogel-Lukasik, Ewa, Green Chemistry, 2017, 19(17), 4048-4060

氘代乙醇-d1(925-93-9)相关文献

氘代乙醇-d1(925-93-9)参考资料

Beilstein:
1731246
PubChem CID:

氘代乙醇-d1(925-93-9) MSDS

基础信息

Name:ETOH-D 99 Atom% D Material Safety Data Sheet
Synonym:Ethano
CAS:925-93-9
Section 1 - Chemical Product ? MSDS Name:ETOH-D 99 Atom% D Material Safety Data Sheet
Synonym:Ethano

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
925-93-9ETOH-D99213-128-9
Hazard Symbols: F
Risk Phrases: 11

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Highly flammable.Flammable liquid.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns.
Skin:
May cause skin irritation. Prolonged and/or repeated contact may cause defatting of the skin and dermatitis. May be absorbed through the skin.
Ingestion:
Cannot be made non-poisonous. Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May cause kidney damage. May cause liver damage. May cause central nervous system depression, characterized by excitement, followed by headache, dizziness, drowsiness, and nausea. Advanced stages may cause collapse, unconsciousness, coma and possible death due to respiratory failure.
Inhalation:
Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma. May cause respiratory tract irritation. Prolonged exposure may result in dizziness and general weakness.
Chronic:
Prolonged or repeated eye contact may cause conjunctivitis.
Prolonged or repeated exposure may cause adverse reproductive effects. May cause liver and kidney damage.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Activated charcoal does not reduce ethanol absorption.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. May polymerize explosively when involved in a fire. Containers may explode when heated.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Water may be ineffective. For large fires, use water spray, fog or alcohol-resistant foam. Do NOT use straight streams of water. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 925-93-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: 363 deg C ( 685.40 deg F)
Flash Point: 12 deg C ( 53.60 deg F)
Explosion Limits, lower: 3.3
Explosion Limits, upper: 19
Decomposition Temperature:
Solubility in water: miscible
Specific Gravity/Density: .8010g/cm3
Molecular Formula: C2H5DO
Molecular Weight: 47.07

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, ignition sources, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, peroxides, acids, acid chlorides, acid anhydrides, alkali metals, ammonia and moisture.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 925-93-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
ETOH-D - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Other For more information, see "HANDBOOK OF ENVIRONMENTAL FATE AND EXPOSURE DATA."

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
Safety Phrases:
S 7 Keep container tightly closed.
S 16 Keep away from sources of ignition - No
smoking.
WGK (Water Danger/Protection)
CAS# 925-93-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 925-93-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 925-93-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A