グルタル酸モノメチル

Monomethyl glutarate

HCID 73917
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基本情報

CAS
1501-27-5
標準SMILES
COC(=O)CCCC(=O)O
InChIKey
IBMRTYCHDPMBFN-UHFFFAOYSA-N
分子式
C6H10O4
平均分子量
146.14 g/mol
単同位体質量
146.0579088

概要

Monomethyl glutaric acid is a dicarboxylic acid monoester that the monomethyl ester of glutaric acid. It has a role as a human urinary metabolite. It is functionally related to a glutaric acid.

名称と識別子

優先名称
Monomethyl glutarate
IUPAC
5-methoxy-5-oxopentanoic acid
現地名
グルタル酸モノメチル
英語名
Mono-methyl glutarate
分子式
C6H10O4
分子量
146.14

名称と別名

1501-27-5Monomethyl glutarateMethyl hydrogen glutarateGlutaric acid, monomethyl ester4-Methoxycarbonylbutanoic acidPENTANEDIOIC ACID, MONOMETHYL ESTER4-(Methoxycarbonyl)butyric acidPentanedioic acid, 1-methyl esterGlutaric acid methyl half esterNSC-938074-Carboxybutanoic acid methyl esterEINECS 216-116-1
名称をさらに表示
グルタル酸モノメチルペンタン二酸1-メチルグルタル酸水素メチルグルタル酸1-メチルペンタン二酸水素1-メチルグルタル酸水素1-メチル5-メトキシ-5-オキソペンタン酸水素グルタル酸メチルグルタル酸モノ-メチルutarateTIMTEC-BB SBB007943METHYL HYDROGEN GLUTMethyl glutarate,monomonomethylglutaricaciMono-methyl glutarateMonomethylGlutarate>Monoethyl pentanedioateMethyl hydrogen glutrate
NSC 93807MONOMETHYL PENTANEDIOATESK94163098GLUTARIC ACID, METHYL ESTERRefChem:819332Glutaric acid, monomethyl ester (8CI)216-116-15-Methoxy-5-oxopentanoic acid

データベース識別子

CAS
1501-27-5
PubChem CID
73917
DTXSID
DTXSID4044589
ChEMBL
CHEMBL1483438
ChEBI
CHEBI:86396
UNII
SK94163098
EC Number
216-116-1
Nikkaji
J127.893B

物性

構造計算による物性

XLogP
0.3
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
5
重原子数
10

実験および物理化学的性質

SpringerMaterials PropertiesDielectric constant
Melting Point150 - 151 °C
Physical Description · 2 件

Liquid

Solid

物理化学的性質

沸点
150 · 150-151 °C/10 mmHg (lit.)
比重(密度)
1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.438(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature
溶解性
Chloroform, Methanol (Slightly)

化学的性質

化学的特性Clear light yellow liquid

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

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

Pentanedioic acid, monomethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29171900
risk_code
36/38
消防法
危-4-3-III
safety_code
23-24/25

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Pentanedioic acid, 1-methyl ester: ACTIVE

応用分野

使用It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

補足説明

定義ChEBI: A dicarboxylic acid monoester that the monomethyl ester of glutaric acid.

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