기본 정보
- 표준 SMILES
CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC- InChIKey
MEJYDZQQVZJMPP-ULAWRXDQSA-N- 분자식
- C8H14O4
- 평균 분자량
- 174.19 g/mol
- 단동위원소 질량
- 174.08920893
이름 및 식별자
- 우선 이름
- Dimethyl Isosorbide
- IUPAC
- (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
- 현지명
- 이소소바드디메틸에테르
- 영어명
- Isosorbide dimethyl ether
- 분자식
- C8H14O4
- 분자량
- 174.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5306-85-4- PubChem CID
- 62990
- DTXSID
DTXSID201019399- UNII
- SA6A6V432S
- EC Number
- 226-159-8
- Nikkaji
- J208.650F
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -70 °C · -70°C
- 끓는 점
- 93 · 93-95 °C0.1 mm Hg(lit.)
- 밀도
- 1.15 g/mL · 1.15 g/mL at 25 °C(lit.)
- 증기압
- 12.54 Pa · 12.54Pa at 20℃
- 굴절률
- 20 · n20/D 1.461(lit.)
- 인화점
- 227 °F · 227 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- 수소이온지수(pH)
- 7 · 7.0-8.0 (100g/l, H2O, 20℃)
- 수용성
- 물에 용해됩니다.
- BRN
- 80854 · 80854
- 화장품 원료 기능
- 용제점도 조절
- InChI
- 1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
- InChIKey
- MEJYDZQQVZJMPP-ULAWRXDQSA-N
- SMILES
- CO[C@H]1COC2[C@@H](COC12)OC
- LogP
- -1.62 · -1.62
화학적 성질
clear colorless to light yellow liquid. very stable under neutral conditions, hygroscopic and miscible with most organic solvents.
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29092000
- safety_code
- 23-24/25
- 기존화학 물질
- 2003-3-2416
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-: ACTIVE
응용 분야
용도Isosorbide 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.
일반 설명Dimethyl isosorbide (DMI) is a biobased greener solvent and thus aligns with "Use of Renewable Feedstocks" and "Safer Solvents and Auxiliaries".
제조 방법
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.
상·하류 제품 정보
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공급사50 곳
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