基本情報
- CAS
497-26-7- 標準SMILES
CC1OCCO1- InChIKey
HTWIZMNMTWYQRN-UHFFFAOYSA-N- 分子式
- C4H8O2
- 平均分子量
- 88.11 g/mol
- 単同位体質量
- 88.05242949
名称と識別子
- 優先名称
- 2-Methyl-1,3-dioxolane
- IUPAC
- 2-methyl-1,3-dioxolane
- 現地名
- 2-メチル-1,3-ジオキソラン
- 英語名
- 2-Methyl-1,3-dioxolane
- 分子式
- C4H8O2
- 分子量
- 88.11
名称と別名
2-METHYL-1,3-DIOXOLANE497-26-71,3-Dioxolane, 2-methyl-2-MethyldioxolaneMethyl dioxolane2-Methyl-1,3-dioxacyclopentanecisdioxocis-methyldioxolane94W0R6V90ANSC-5209DTXSID7060095RefChem:87967
名称をさらに表示
2-メチル-1,3-ジオキソランアセトアルデヒドエチレンアセタール2‐メチル‐1,3‐ジオキソラン2-Methyl-1,3-dioxaneRARECHEM AL BP 05442-methyl-3-dioxolane2-Methyl-1,3-dioxolane>2-METHYL-1,3-DIOXOLANE 98+%
DTXCID3040720207-841-42-MethyldioxoleMethyldioxolaneAcetaldehyde ethylene acetalDioxolane, methyl-Methyl-1,3-dioxolaneMFCD00003210
データベース識別子
- CAS
497-26-7- PubChem CID
- 10342
- DTXSID
DTXSID7060095- ChEMBL
CHEMBL5266581- UNII
- 94W0R6V90A
- EC Number
- 207-841-4
- Nikkaji
- J25.401K
物性
構造計算による物性
- XLogP
- 0.2
- 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
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 38.8
実験および物理化学的性質
SpringerMaterials PropertiesSchoenflies notation
物理化学的性質
- 沸点
- 82 · 82-83 °C (lit.)
- 比重(密度)
- 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.398(lit.)
- 闪点
- 28 °F · 28 °F
- 貯蔵温度
- Flammables area
- 水溶解度
- Completely miscible in water
- 外見
- 液体
- 色
- Colorless to Almost colorless
- 爆発限界(explosive limit)
- 1.8 % · 1.8%(V)
- BRN
- 102520 · 102520
- Henry's Law Constant
- 7.9 · 7.9×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
- InChIKey
- HTWIZMNMTWYQRN-UHFFFAOYSA-N
- SMILES
- CC1OCCO1
- CAS データベース
- 497 · 497-26-7(CAS DataBase Reference)
- EPAの化学物質情報
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 166 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JI3509000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29329990
- risk_code
- 11-36
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi
- safety_code
- 16-26
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.
用途と製造
General Manufacturing Information1,3-Dioxolane, 2-methyl-: ACTIVE
応用分野
使用2-Methyl-1,3-dioxolane is used in method for treating biodegradation of organic chlorine compounds using 1,4-Dioxane-degrading bacterium N23 strain.
一般的な説明The kinetics and mechanism of the gas-phase thermal decomposition of 2-methyl-1,3-dioxolane has been studied in a static system. The infrared spectra of solid, liquid and gaseous 2-methyl-1,3-dioxolane has been studied. Low-temperature ozonation of 2-methyl-1,3-dioxolane in acetone-d6, methyl acetate and tert-butyl methyl ether has been reported.
上流・下流製品情報
上流原料
関連反応
6 件
化合物ノート
読み込み中…