イソソルビドジメチルエーテル

Dimethyl Isosorbide

HCID 62990CAS 5306-85-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC
InChIKey
MEJYDZQQVZJMPP-ULAWRXDQSA-N
分子式
C8H14O4
平均分子量
174.19 g/mol
単同位体質量
174.08920893

名称と識別子

優先名称
Dimethyl Isosorbide
IUPAC
(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
現地名
イソソルビドジメチルエーテル
英語名
Isosorbide dimethyl ether
分子式
C8H14O4
分子量
174.2

名称と別名

Isosorbide dimethyl ether5306-85-4Dimethyl isosorbide2,5-Dimethylisosorbide1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitolSA6A6V432SNSC-40727NSC-44695D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-DTXSID201019399RefChem:1342482,5-O-dimethylisosorbide
名称をさらに表示
イソソルビドジメチルエーテルジメチルイソソルビド2-O,5-O-ジメチル-1,4:3,6-ジアンヒドロ-D-グルシトール1,4:3,6-ジアンヒドロ-2-O,5-O-ジメチル-D-グルシトール(1α,5α)-4β,8α-ジメトキシ-2,6-ジオキサビシクロ[3.3.0]オクタン（3R）-3，6-ジメトキシヘキサヒドロフロ［3，2-b］フランジメチルイソソルバイドO,O-ジメチルイソソルビド(3R,3aR,6S,6aR)-3,6-ジメトキシ-ヘキサヒドロフロ[3,2-b]フラン3α,6β-ジメトキシ-2,3,3aα,5,6,6aα-ヘキサヒドロフロ[3,2-b]フランドチゾール(3aα,6aα)-ヘキサヒドロ-3β,6α-ジメトキシフロ[3,2-b]フランDIMETHYL ISOBORBIDE(3R,3aR,6S,6aR)O,O-DIMETHYLISOSORBIDEDiMethyl Isosorbide(DMI)SOSORBIDE DIMETHYL ETHERlsosorbide dimethyl ether
DTXCID201477371226-159-8Arlasolve DMI(3R,3aR,6S,6aR)-3,6-Dimethoxyhexahydrofuro[3,2-b]furanMFCD00064828(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan2,5-Di-O-methyl-1,4:3,6-dianhydro-D-glucitol(3R,3aR,6S,6aR)-3,6-dimethoxy-hexahydrofuro[3,2-b]furan

データベース識別子

CAS
5306-85-4
PubChem CID
62990
DTXSID
DTXSID201019399
UNII
SA6A6V432S
EC Number
226-159-8
Nikkaji
J208.650F

物性

構造計算による物性

XLogP
-0.6
極性表面積
36.9 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
12

実験および物理化学的性質

CosmeticsSolvent
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physical DescriptionLiquid

物理化学的性質

融点
-70 °C · -70°C
沸点
93 · 93-95 °C0.1 mm Hg(lit.)
比重(密度)
1.15 g/mL · 1.15 g/mL at 25 °C(lit.)
蒸気圧
12.54 Pa · 12.54Pa at 20℃
屈折率
20 · n20/D 1.461(lit.)
闪点
227 °F · 227 °F

化学的性質

化学的特性clear colorless to light yellow liquid. very stable under neutral conditions, hygroscopic and miscible with most organic solvents.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.6% (225 of 226) of all reports.

Not Classified

Aggregated GHS information provided per 226 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-

D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 08-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21446

D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

安全データ

wgk
3
tsca
TSCA listed
hs_code
29092000
消防法
危-4-3-III
safety_code
23-24/25
ストレージクラス
10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 305,816 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSolvent
Household ProductsInformation on 1 consumer products that contain Dimethyl Isosorbide in the following categories is provided:
Use ClassificationCosmetics -> Solvent
General Manufacturing Information · 2 件

Pharmaceutical and Medicine Manufacturing

D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-: ACTIVE

応用分野 · 2 件

使用Isosorbide dimethyl ether (DMI), a sustainable solvent, is widely used in various cosmetic and pharmaceutical formulations.General applications:DMI can be used as an alternative green solvent for epoxidation of cyclooctene, Baylis–Hillman reaction of isomaltulose-derived aldehydes with α,β-unsaturated ketones and also in solid-phase synthesis.It can be used as a coalescent for water-borne paints, where it acts as a co-solvent during the water loss phase and as a coalescing agent during the film formation.

一般的な説明Dimethyl isosorbide (DMI) is a biobased greener solvent and thus aligns with "Use of Renewable Feedstocks" and "Safer Solvents and Auxiliaries".

調製方法 · 1 件

製造方法Isosorbide dimethyl ether is synthesized from isosorbide by methylation.Isosorbide dimethyl ether is obtained from stock like D-sorbitol, which is mainly derived from the hydrogenation of D-glucose.Isosorbide dimethyl has a low level of toxicity and is referred to as a green solvent due to its production from renewable/raw material.The boiling point of this solvent is high.lt is used as a substitute to dimethyl sulfoxide,and dimethylformamide-like solvents.

上流・下流製品情報

下流製品

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義本品は、無水ソルビトール異性体のジメチルエーテルであり、次の化学式で表される。

関連反応

2 件
反応記録を作成

関連ノート

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Dimethyl Isosorbide (HCID 62990)｜化工社