CAS 23235-61-2 Ditrimethylolpropane (HCID 90038)

이름 및 식별자

우선 이름: Ditrimethylolpropane
IUPAC: 2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol
현지명: 디트리메틸올프로판
영어명: Di(trimethylol propane)
분자식: C12H26O5
분자량: 250.33

이름 및 동의어

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

이름 더 보기

디트리메틸올프로판디트리메틸올프로판(DITRIMETHYLOLPROPANE)디(트리메틸올프로판)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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 90.2 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 10
무거운 원자 수: 17
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 108 · 108-111 °C(lit.)
끓는 점: 215 °C4 · 215 °C4 mm Hg(lit.)
밀도: 1.0187 · 1.0187 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.456 · 1.4560 (estimate)
저장 조건: Store at room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 13.9 · 13.90±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 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: 1 · 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- (23235-61-2)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29094990
safety_code: 22-24/25
기존화학 물질: 2000-3-1563
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

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

Consumer UsesIntermediate

Industry UsesOther

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

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

응용 분야 · 3건

개요Di(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.

용도Di(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.

일반 설명Di(trimethylolpropane) is a monomeric unit with primary hydroxyl groups, that can be used as a tetrafunctional core molecule.

공급사100 곳

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]

화합물 노트

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