セバシン酸ジメチル

Dimethyl sebacate

HCID 7829CAS 106-79-6
部分構造検索類似構造を探す

基本情報

標準SMILES
COC(=O)CCCCCCCCC(=O)OC
InChIKey
ALOUNLDAKADEEB-UHFFFAOYSA-N
分子式
C12H22O4
平均分子量
230.3 g/mol
単同位体質量
230.15180918

名称と識別子

優先名称
Dimethyl sebacate
IUPAC
dimethyl decanedioate
現地名
セバシン酸ジメチル
英語名
Dimethyl sebacate
分子式
C12H22O4
分子量
230.3

名称と別名

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
名称をさらに表示
セバシン酸ジメチルデカン二酸ジメチルセバシン酸メチルオクタン-1,8-ジカルボン酸ジメチルジメチルセバケ-トジメチル＝デカン-1，10-ジオアートDimethylsebacaNSC 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

データベース識別子

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

物性

構造計算による物性

XLogP
3
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
11
重原子数
16

実験および物理化学的性質

Physical DescriptionWhite solid; mp = 25-28 deg C; [Alfa Aesar MSDS]
Kovats Retention Index · 3 件

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 Ų [M+Na]+

物理化学的性質

融点
29 · 29-31 °C (lit.)
沸点
158 °C/10 · 158 °C/10 mmHg (lit.)
比重(密度)
0.988 g/mL · 0.988 g/mL at 25 °C (lit.)
蒸気圧
0.08 Pa · 0.08Pa at 25℃
屈折率
1.4355 · 1.4355 (estimate)
闪点
293 °F · 293 °F

化学的性質

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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%)

毒性情報

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.

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk
1
tsca
TSCA listed
hs_code
29171310
化審法
(2)-879
消防法
危-4-3-III
safety_code
24/25

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

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

Plastics -> Plasticisers

General Manufacturing InformationDecanedioic acid, 1,10-dimethyl ester: ACTIVE
応用分野 · 2 件

使用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.

一般的な説明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.

上流・下流製品情報

サプライヤー50 社

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]

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