Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디메틸 세바케이트
다이메틸세바케이트 · 디메틸세바케이트 · 다이메틸 데케인-1,10-다이오에이트 · 다이메틸 데케인다이오에이트 · 다이메틸 세바케이트 · 다이메틸 옥테인-1,8-다이카복실레이트 · 데케인다이오에이트, 다이메틸 · 데케인이산 다이메틸 에스터
식별자 및 물리적 특성
| CAS No. | 106-79-6 |
|---|---|
| 분자식 | C12H22O4 |
| 평균 분자량 | 230.3 g/mol |
| 단동위원소 질량 | 230.15180918 g/mol |
| SMILES | COC(=O)CCCCCCCCC(=O)OC |
| InChIKey | ALOUNLDAKADEEB-UHFFFAOYSA-N |
| PubChem CID | 7829 |
| ChEMBL | CHEMBL3186083 |
| ChEBI | CHEBI:194205 |
| EC No. | 203-431-4 |
| DTXSID | DTXSID1026740 |
| 현지명 | 디메틸 세바케이트 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 11 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 179 |
| Physical Description | White solidmp = 25-28 deg C[Alfa Aesar MSDS] |
| Kovats Retention Index | 1611161216191631162016131614164516271646161616151621.416341650.516491647.616381644.4279.26221222202195 |
| Collision Cross Section | 159.71 Ų [M+Na]+ |
| 녹는점 | 29-31 °C (lit.) |
| 끓는 점 | 158 °C/10 mmHg (lit.) |
| 밀도 | 0.988 g/mL at 25 °C (lit.) |
| 증기압 | 0.08Pa at 25℃ |
| 굴절률 | 1.4355 (estimate) |
| 인화점 | 293 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to lump to clear liquid |
| 색상 | White or Colorless to Light yellow |
| 용해도 | 물에 불용성. |
| BRN | 1785523 |
| 헨리 상수 | 1.8×101 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 안정성 | 안정적인. 산화제, 염기와 호환되지 않습니다. 타기 쉬운. |
| InChI | 1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3 |
| InChIKey | ALOUNLDAKADEEB-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCCCCCC(=O)OC |
| LogP(분배 계수) | 3.38 |
| NIST | Decanedioic acid, dimethyl ester(106-79-6) |
| EPA | Decanedioic acid, 1,10-dimethyl ester (106-79-6) |
화학적 성질
colourless melt or liquid. Needle-like or plate-like colorless or white crystals. M.P. 38° C. B.P. 293° C. Sp.Gr. 0.99 (liquid). Pleasant and mild-ethereal-fruity odor. Fruity-winey, ethereal Apple-like taste, but very mild.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 89.4% (195 of 218) of all reports.DangerH318 (10.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H412 (10.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 218 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 195 of 218 reports by companies.There are 3 notifications provided by 23 of 218 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Decanedioic acid, dimethyl esterStatus: Active Update: 24-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14977Status: Active Update: 29-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6007Decanedioic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | Category members and supporting chemicals demonstrated effects including histopathological changes of the kidney and liver, changes in enzyme activities, lesions of heart, kidney, and liver in repeated-dose oral and dermal studiesDevelopmental toxicity at or below doses maternally toxicNo effects to gonadsNo evidence of mutagenicity[EPA ChAMP: Screening Level Hazard Characterization: Diesters] May cause serious eye injury[ECHA REACH Registrations] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories |
용도
용도
Polytetramethylene sebacate was prepared from dimethyl sebacate. Dimethyl sebacate was used in the biosynthesis of oligomeric sebacates as lubricant oils. Dimethyl sebacate was a convenient starting material for cyclization of N-Succinylglycine dimethyl ester.
일반 설명
Dimethyl sebacate (DMS) is a plasticizer that can be synthesized by esterification of sebacic acid. It is from vegetable origin since it is processed from castor oil.