Dimethyl sebacate (HCID 7829)

이름 및 식별자

우선 이름: Dimethyl sebacate
IUPAC: dimethyl decanedioate
현지명: 디메틸 세바케이트
영어명: Dimethyl sebacate
분자식: C12H22O4
분자량: 230.3

이름 및 동의어

DIMETHYL SEBACATEDimethyl decanedioate106-79-6Methyl sebacateSebacic acid dimethyl esterDecanedioic acid, dimethyl esterSebacic acid, dimethyl esterDimethyl octane-1,8-dicarboxylateDecanedioic acid, 1,10-dimethyl esterDTXSID1026740NSC-9415DTXCID206740

이름 더 보기

다이메틸세바케이트디메틸세바케이트다이메틸세바케이트다이메틸 데케인-1,10-다이오에이트다이메틸 데케인다이오에이트다이메틸 세바케이트다이메틸 옥테인-1,8-다이카복실레이트데케인다이오에이트, 다이메틸데케인이산 다이메틸 에스터데케인이산, 1,10-다이메틸 에스터데케인이산, 다이메틸 에스터DimethylsebacaNSC 9415DimethylsebacatDimethyl sebacate,98%Dimethyl Sebacate >1,8-Dimethyl sebacate

G87745M355203-431-4RefChem:134270Decanedioic Acid Dimethyl EsterDimethyldecanedioateMFCD00008472dimethyl decane-1,10-dioate1,8-Octanedicarboxylic acid, bis-methyl ester

데이터베이스 식별자

CAS: 106-79-6
PubChem CID: 7829
DTXSID: DTXSID1026740
ChEMBL: CHEMBL3186083
ChEBI: CHEBI:194205
UNII: G87745M355
EC Number: 203-431-4
Nikkaji: J3.246H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 11
무거운 원자 수: 16
형식 전하: 0
복잡도: 179

실험 및 물리화학적 성질

Physical DescriptionWhite solid; mp = 25-28 deg C; [Alfa Aesar MSDS]

Kovats Retention Index · 3건

1611；1612；1611；1619；1631；1620；1619；1613；1613；1613；1614；1645；1627；1646；1616；1615；1621.4；1616；1645；1634

1650.5；1649；1650；1647.6；1638；1644.4；279.26

2212；2220；2195

Collision Cross Section159.71 Å² [M+Na]+

물리화학적 성질

녹는점: 29 · 29-31 °C (lit.)
끓는 점: 158 °C/10 · 158 °C/10 mmHg (lit.)
밀도: 0.988 g/mL · 0.988 g/mL at 25 °C (lit.)
증기압: 0.08 Pa · 0.08Pa at 25℃
굴절률: 1.4355 · 1.4355 (estimate)
인화점: 293 °F · 293 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
수용성: 물에 불용성.
BRN: 1785523 · 1785523
Henry's Law Constant: 1.8 · 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: 3.38 · 3.38
NIST: Decanedioic acid, dimethyl ester(106-79-6)
EPA: 1 · 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

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 89.4% (195 of 218) of all reports.

Danger

H318 (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.

유해성 정보

Regulatory Information · 3건

Chemical: Decanedioic acid, dimethyl ester

Status: Active Update: 24-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14977；Status: Active Update: 29-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6007

Decanedioic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards Summary · 1건

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 studies; Developmental toxicity at or below doses maternally toxic; No effects to gonads; No 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 CategoriesEye Dam. 1 (10.1%)；Aquatic Chronic 3 (10.1%)

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

규제 정보

Regulatory Information · 3건

Chemical: Decanedioic acid, dimethyl ester

Status: Active Update: 24-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14977；Status: Active Update: 29-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6007

Decanedioic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29171310
safety_code: 24/25
기존화학 물질: KE-09414
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Uses · 2건

Used as a plasticizer and to make large scale and fine chemicals and other chemical substances; [ECHA REACH Registrations]

Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%

Use Classification · 2건

Plastics -> Polymer Type -> PUR; PVC (soft)

Plastics -> Plasticisers

General Manufacturing InformationDecanedioic acid, 1,10-dimethyl ester: ACTIVE

응용 분야 · 2건

용도Polytetramethylene 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 설명Dimethyl 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.

상·하류 제품 정보

상류 원료

하류 제품

Tetradecanoic acid, 14-bromo-, methyl ester 메틸10-하이드록시데카노에이트 1,14-Dibromotetradecane 세바식디히드라지드 펠라고닉산메틸에스테르

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

연결된 노트

불러오는 중…

디메틸 세바케이트

기본 정보