1,1-디메톡시에탄
1,1-다이메톡시에테인 · 1,1-디메톡시에탄 · 다이메틸아세탈 · 다이메틸아세탈(DIMETHYLACETAL) · DIMETHYL ACETAL · ACETALDEHYDE DIMETHYL ACETAL · FEMA 3426 · Ethane,1,1-dimethoxy-
식별자 및 물리적 특성
| CAS No. | 25154-53-4 |
|---|---|
| 분자식 | C4H10O2 |
| 평균 분자량 | 90.12 g/mol |
| 단동위원소 질량 | 90.06807956 g/mol |
| SMILES | COC(C)OC |
| InChIKey | SPEUIVXLLWOEMJ-UHFFFAOYSA-N |
| PubChem CID | 10795 |
| ChEMBL | CHEMBL3183607 |
| ChEBI | CHEBI:178404 |
| EC No. | 208-589-8 |
| DTXSID | DTXSID7027178 |
| 현지명 | 1,1-디메톡시에탄 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 24.7 |
| 물질 분류 | Other Classes -> AcetalsFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| 냄새 | STRONGLY AROMATIC ODORGREEN VEGETABLE ODOR프로필렌 글리콜 중 1.00%. 날카로운 달콤한 알코올 에테르 녹색 새 잔디 건초 |
| 맛 | FRUITY TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.85015 @ 20 °C/4 °C0.850-0.8600.852 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | COLORLESS LIQMOBILE LIQ |
| 용해도 | ETHERVERY SOL IN ACETONEMiscible with water, alcohol, chloroform, ether.1000 mg/mL at 25 °Cmiscible with water, organic solvent, oilsmiscible (in ethanol)클로로포름(소량으로 용해) |
| 인화점 | BELOW 80 °F1 °F |
| 끓는 점 | 64.5 °C64.00 to 65.00 °C. @ 760.00 mm Hg64 °C64 °C(lit.) |
| 녹는점 | -113.2 °C-113 °C |
| 증기 밀도 | 3.1 (vs air) |
| 증기압 | 200 hPa (20 °C) |
| FEMA | 3426 | 1,1-DIMETHOXYETHANE |
| 굴절률 | n20/D 1.367(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 향취 유형 | 미묘한 |
| 생물학적 소스 | synthetic |
| 용해도 | 녹는 |
| Merck | 14,3226 |
| JECFA Number | 940 |
| BRN | 1697039 |
| 헨리 상수 | 1.5×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 유전율 | 3.4900000000000002 |
| InChI | 1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 |
| InChIKey | SPEUIVXLLWOEMJ-UHFFFAOYSA-N |
| SMILES | COC(C)OC |
| LogP(분배 계수) | 0.63 at 25℃ |
| NIST | Ethane, 1,1-dimethoxy-(534-15-6) |
| EPA | 1,1-Dimethoxyethane (534-15-6) |
화학적 성질
1,1-Dimethoxybenzene is a clear colorless liquid with a sharp, sweet, alcohol, ether, green, new-mown-hay odor. It can miscible with water, alcohol, ether and chloroform.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Ethane, 1,1-dimethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethane, 1,1-dimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1-dimethoxy- 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: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/255131,1-Dimethoxyethane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 화재 가능성 | FLAMMABLE, DANGEROUS FIRE RISK. |
| 건강 유해성 | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:· Inhalation or contact with material may irritate or burn skin and eyes. |
| 유해성 요약 | A severe skin and eye irritant[CAMEO] Acts as general anesthetic in lethal-dose inhalation studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] A fire hazard[Hawley] An irritant[MSDSonline] |
| 운송 번호 및 가이드(DOT) | 2377 127 |
| 반응성 그룹 | Ethers |
| Reactivity Alerts | Highly Flammable |
용도
출처
Reported found in raspberry, blackberry, strawberry, peas, fresh figs, hop oil, coffee, cognac, white wine and tea.
용도
1,1-Dimethoxyethane is used as a reagent in the synthesis of tricyclic and tetracyclic 1,5-benzodiazepine derivatives as nevirapine analogues. It can also be used as Mering's mixture which is 2 vol dimethylacetal and 1 vol chloroform.
일반 설명
A liquid with a sharp odor. Less dense than water. Flash point between 0-73°F. Mildly toxic by ingestion and inhalation. Severely irritates the skin and eyes. Used to make other chemicals.
제조 및 합성 방법
제조 방법
From acetaldehyde and methanol.