CAS 23235-61-2 Ditrimethylolpropane (HCID 90038)

名称と識別子

優先名称: Ditrimethylolpropane
IUPAC: 2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol
現地名: 2,2'-[オキシビス(メチレン)]ビス[2-エチル-1,3-プロパンジオール]
英語名: Di(trimethylol propane)
分子式: C12H26O5
分子量: 250.33

名称と別名

23235-61-2DitrimethylolpropaneDi-TrimethylolpropaneUNII-53E6MN32Z52,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol)DTXSID904487953E6MN32Z5EINECS 245-509-0EC 245-509-0BISTRIMETHYLOLPROPANEDITRIMETHYLOL PROPANEDTXCID7024879

名称をさらに表示

2,2'-オキシビスメチレンビス(2-エチル-1,3-プロパンジオール)ビス(2,2-ジヒドロキシメチルブチル)エーテル2,2'-[オキシビス(メチレン)]ビス[2-エチル-1,3-プロパンジオール]2,2'-オキシビス(メチレン)ビス(2-エチルプロパン-1,3-ジオール)2,6-ジエチル-2,6-ビス(ヒドロキシメチル)-4-オキサヘプタン-1,7-ジオール2,2'-(オキシビスメチレン)ビス(2-エチル-1,3-プロパンジオール)ジトリメチロールプロパンビス[2,2-ジ(ヒドロキシメチル)ブチル]エーテル2,2'-[オキシビス(メチレン)]ビス(2-エチル-1,3-プロパンジオール)2,2`-[オキシビス(メチレン)]ビス[2-エチル-1,3-プロパンジオール]ビス（２，２ジヒドロキシメチルブチル）エテルジ(トリメチロールプロパン)2,2'-オキシビス(メチレン)ビス(2-エチル-1,3-プロパンジオール)ビス[2-エチル-2,2-ビス(ヒドロキシメチル)エチル]エーテル2，2’-ジエチル-2，2’-（オキシジメチル）ビス（プロパン-1，3-ジオール）DTMPDI-TMPDitrimethylolDi(trimethylolpropane)>Bis(trihydroxymethyl)propane3,3,4-trimethyl-1,2-dioxetanePerstorp Di-TrimethylolpropaneBis (1,1,1-trimethylolpropane)

3,3,7,7-TETRAKIS(HYDROXYMETHYL)-5-OXANONANEBIS(1,1-DIMETHYLOLPROPYL)DIMETHYL ETHER2,2'-(OXYDIMETHYLENE)BIS(2-ETHYL-1,3-PROPANEDIOL)RefChem:135225245-509-0Di(trimethylolpropane)Di(trimethylol propane)2,2'-(Oxybis(methylene))bis(2-ethylpropane-1,3-diol)

データベース識別子

CAS: 23235-61-2
PubChem CID: 90038
DTXSID: DTXSID9044879
ChEMBL: CHEMBL3188200
UNII: 53E6MN32Z5
EC Number: 245-509-0
Nikkaji: J60.718E

物性

構造計算による物性

XLogP: -0.6
極性表面積: 90.2 Å²
水素結合供与体数: 4
水素結合受容体数: 5
回転可能結合数: 10
重原子数: 17
形式電荷: 0
複雑度: 167

実験および物理化学的性質

Physical DescriptionDry Powder; CBI; Liquid

Collision Cross Section159.6 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044879]

物理化学的性質

融点: 108 · 108-111 °C(lit.)
沸点: 215 °C4 · 215 °C4 mm Hg(lit.)
比重(密度): 1.0187 · 1.0187 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.456 · 1.4560 (estimate)
貯蔵温度: Store at room temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 13.9 · 13.90±0.10(Predicted)
色: White to Almost white
水溶解度: 21 g/L · 21g/L at 20℃
BRN: 1860782 · 1860782
InChI: 1S/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3
InChIKey: WMYINDVYGQKYMI-UHFFFAOYSA-N
SMILES: CCC(CO)(CO)COCC(CC)(CO)CO
LogP: 0.88 at · 0.88 at 25℃
EPAの化学物質情報: 1 · 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- (23235-61-2)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (272 of 272) of all reports.

Not Classified

Aggregated GHS information provided per 272 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- 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: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1913

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-: 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: 29094990
化審法: (2)-2436
safety_code: 22-24/25
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 550,000 - <700,000 lb

Consumer UsesIntermediate

Industry UsesOther

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-: ACTIVE

応用分野 · 3 件

説明Di(trimethylol propane), Di-TMP, 2,2-[oxybis(methylene)]-bis(2-ethyl)-1,3-propanediol is a colorless and crystalline substance (mp 112 – 114 ℃), only slightly soluble in water at ambient temperature (2.6 g/100 g at 25 ℃).It is a byproduct of 2-ethyl-2-hydroxymethyl-1,3-propanediol (TMP) production and can be isolated from the residue of the TMP distillation step. Newer investigations show that ditrimethylolpropane can be prepared in high yield and selectivity by the reaction of TMP, formaldehyde, and 2-ethylacrolein.

使用Di(trimethylolpropane) can be used for the synthesis of lipase catalyzed hyperbranched polymers. It can also be used in the formation of biodegradable polymers for drug delivery applications.

一般的な説明Di(trimethylolpropane) is a monomeric unit with primary hydroxyl groups, that can be used as a tetrafunctional core molecule.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [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]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

化合物ノート

読み込み中…

2,2'-[オキシビス(メチレン)]ビス[2-エチル-1,3-プロパンジオール]

基本情報