ブタン二酸1-メチル

monoMethyl succinate

HCID 77487CAS 3878-55-5
部分構造検索類似構造を探す

基本情報

標準SMILES
COC(=O)CCC(=O)O
InChIKey
JDRMYOQETPMYQX-UHFFFAOYSA-N
分子式
C5H8O4
平均分子量
132.11 g/mol
単同位体質量
132.04225874

概要

Monomethyl succinate is a dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester. It is a hemisuccinate and a dicarboxylic acid monoester.

名称と識別子

優先名称
monoMethyl succinate
IUPAC
4-methoxy-4-oxobutanoic acid
現地名
ブタン二酸1-メチル
英語名
Mono-methyl succinate
分子式
C5H8O4
分子量
132.11

名称と別名

4-Methoxy-4-oxobutanoic acid3878-55-5Monomethyl succinateSuccinic acid monomethyl esterMethyl hydrogen succinateSuccinic acid, monomethyl esterButanedioic acid, monomethyl ester3-Carbomethoxypropanoic acidDTXSID7044425YA2V724S0Abutanedioic acid monomethyl esterNSC-511
名称をさらに表示
こはく酸1-メチルブタン二酸1-メチルこはく酸水素メチルこはく酸水素1-メチルこはく酸モノメチルこはく酸MONO-メチルこはく酸MONO‐メチルこはく酸モノメチルエステルコハク酸水素モノ-メチルMono-Methyl Succinate 3878-55-5AKOS BBB/224MONO-METHYL SUCCITEMONO-METHYL SUCCINATSuccinic acid 1-methylMonomethyl Butanedioatemono-Methyl succinate,98%
DTXCID5024425CHEBI:75146DL-methylsuccinate3H-methylsuccinateRefChem:819335223-408-2mono-Methyl hydrogen succinateMFCD00002788

データベース識別子

CAS
3878-55-5
PubChem CID
77487
DTXSID
DTXSID7044425
ChEBI
CHEBI:75146
UNII
YA2V724S0A
EC Number
223-408-2
Nikkaji
J21.755G

物性

構造計算による物性

XLogP
0
極性表面積
63.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
4
重原子数
9

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids
Physical Description · 2 件

Liquid

White to off-white crystals; [Acros Organics MSDS]

物理化学的性質

融点
54 · 54-57 °C(lit.)
沸点
151 °C20 · 151 °C20 mm Hg(lit.)
比重(密度)
1.0951 · 1.0951 (rough estimate)
屈折率
1.424 · 1.4240 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
4.42 · 4.42±0.17(Predicted)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

Butanedioic acid, 1-methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 1-methyl ester 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)

Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29171900
risk_code
36/37/38
hazard_code
Xi
safety_code
22-24/25

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Butanedioic acid, 1-methyl ester: ACTIVE

応用分野 · 3 件

用途有機合成原料。

説明Monomethyl succinate (Mono-Methyl Succinate) is a white crystal under normal temperature, with a fusing point of 56 ℃~ 59 ℃ and a boiling point of 151 ℃; it is dissolved in organic solvents such as alcohol, ether, and benzene, and water-insoluble. Monomethyl succinate is the intermediate of organic synthesis and pharmaceutical synthesis, is also the substrate material producing color candles, and has advantages such as burning is smokeless and odorless. The preparation method is that succinic acid, Succinic anhydried, and methyl alcohol single-esterification produce monomethyl succinate.

使用Mono-methyl Succinate is one of the substances used in the study of lactobacillus plantarum culture supernatants with potential pro-heating and anti-pathogenic properties in skin chronic wounds

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

補足説明

定義ChEBI: A dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester.

関連反応

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