基本情報
- 標準SMILES
CCOCOCC- InChIKey
KLKFAASOGCDTDT-UHFFFAOYSA-N- 分子式
- C5H12O2
- 平均分子量
- 104.15 g/mol
- 単同位体質量
- 104.08372962
概要
Diethoxymethane appears as a colorless volatile liquid with an agreeable odor. Less dense than water. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.
名称と識別子
- 優先名称
- Diethoxymethane
- IUPAC
- ethoxymethoxyethane
- 現地名
- エチラール
- 英語名
- Diethoxymethane
- 分子式
- C5H12O2
- 分子量
- 104.15
名称と別名
Diethoxymethane462-95-3Diethoxy methaneEthylalFormaldehyde diethyl acetalDiethylformalMethane, diethoxy-Ethoxymethyl ethyl ether1,1-DIETHOXYMETHANE3,5-DioxahepteneEthane, 1,1'-[methylenebis(oxy)]bis-3,5-Dioxaheptane
名称をさらに表示
エチラールメチレングリコールジエチルエーテルメチレンジオキシジエタンホルムアルデヒドジエチルアセタールジエチルホルマールジエトキシメタンメチレンビスオキシビスエタンメチレンジエチルエーテル（エトキシメトキシ）エタンホルムアルデヒド=ジエチルアセタ-ルdiethoxy-methanEthoxymethoxy-ethaneEthylal >DIETHYLFORMALDiethyl methylal
NSC 6754CCRIS 6891DTXSID6052112Ethane, 1,1'-(methylenebis(oxy))bis-EINECS 207-330-6UNII-56IT408V5YBRN 1697253AI3-24286
データベース識別子
- CAS
462-95-3- PubChem CID
- 10024
- DTXSID
DTXSID6052112- UNII
- 56IT408V5Y
- EC Number
- 207-330-6
- Nikkaji
- J5.772J
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 25.3
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
LogP0.84
Flavoring AgentsEU Flavoring substances
Physical Description
Diethoxymethane appears as a colorless volatile liquid with an agreeable odor. Less dense than water. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.
CBI; Liquid
物理化学的性質
- 融点
- -66.5 °C · -66.5 °C
- 沸点
- 87 · 87-88 °C (lit.)
- 比重(密度)
- 0.831 g/mL · 0.831 g/mL at 25 °C (lit.)
- 蒸気密度
- 3.6 · 3.6 (vs air)
- 蒸気圧
- 60 mm · 60 mm Hg ( 25 °C)
- 屈折率
- 20 · n20/D 1.373(lit.)
- 闪点
- 22 °F · 22 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 91 g/リットル · 91g/リットル
- 外見
- 液体
- 色
- 無色透明
- 臭い (Odor)
- Very diffusive, sweet-ethereal odor, somewhat reminiscent of Acetone and Methyl acetate
- においのタイプ
- Sweet, ethereal, slightly fruity taste. Not very powerful
- 爆発限界(explosive limit)
- 1.5 % · 1.5%(V)
- 水溶解度
- 4.2 G/100ML · 4.2G/100ML
- BRN
- 1697253 · 1697253
- Henry's Law Constant
- 1.5 · 1.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Dielectric constant
- 2.53 · 2.5299999999999998
- 安定性
- 安定。とても燃えやすい。強酸化剤、強酸とは相容れない。
- 化粧品成分の機能
- 溶媒
- InChI
- 1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
- InChIKey
- KLKFAASOGCDTDT-UHFFFAOYSA-N
- SMILES
- CCOCOCC
- LogP
- 0.84 · 0.84
- CAS データベース
- 462 · 462-95-3(CAS DataBase Reference)
- NISTの化学物質情報
- Diethoxymethane(462-95-3)
- EPAの化学物質情報
- 1 · Ethane, 1,1'-[methylenebis(oxy)]bis- (462-95-3)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 207 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Ethane, 1,1'-[methylenebis(oxy)]bis-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethane, 1,1'-[methylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1'-[methylenebis(oxy)]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 02-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11805
Diethoxymethane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
DOT ID and Guide2373 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity ProfileDIETHOXYMETHANE, an acetal, is incompatible with strong oxidizing agents and acids. Breaks down to formaldehyde and ethanol in acidic solutions.
DOT Hazard Classification
Diethoxymethane
UN2373
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Soluble in water.
Peroxide Forming Chemical
Diethoxymethane
D: Other compounds that may form peroxides
Kelly
https://cameochemicals.noaa.gov/chemical/3189
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree, Reactive agents - 3rd degree
安全と保護具
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
安全データ
- F
- 3
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- PA8500000
- ridadr
- UN 2373
- 毒性
- LD50 orally in Rabbit: 3536 mg/kg LD50 dermal Rat > 16600 mg/kg
- hs_code
- 2911 00 00
- risk_code
- 11-36/37/38
- 消防法
- 危-4-2-III
- hazard_code
- F,Xi
- safety_code
- 16-26-36-9-37/39-33
- hazard_class
- 3
- packing_group
- II
- 自然発火温度
- 346 °F
- Hazard Classifications
- Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Ethane, 1,1'-[methylenebis(oxy)]bis-: ACTIVE
応用分野
使用Diethoxymethane (DEM) is offered by Eastman Chemical Company as a cost-effective replacement solvent for monoglyme (1,2- dimethoxyethane) and methylal. The DEM diether is stable under alkaline conditions, but can be cleaved by strong acids. Diethoxymethane can be used as a chemical intermediate in many organic synthesis reactions. Diethoxymethane is useful as a solvent in lithium batteries with nonaqueous electrolytes, as a solvent for polymeric materials, and as a fuel additive. As a chemical intermediate DEM can act as an ethoxymethylating reagent for alcohols and phenols and serve as a source for formaldehyde in organic synthesis.
一般的な説明A colorless volatile liquid with an agreeable odor. Less dense than water. Flash point below 10°F. Vapors heavier than air. May be narcotic in high concentrations. Used as a solvent and in the manufacture of cosmetics.
上流・下流製品情報
上流原料
下流製品
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