Monomethyl glutarate

HCID 73917CAS 1501-27-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)CCCC(=O)O
InChIKey
IBMRTYCHDPMBFN-UHFFFAOYSA-N
분자식
C6H10O4
평균 분자량
146.14 g/mol
단동위원소 질량
146.0579088

개요

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.

이름 및 식별자

우선 이름
Monomethyl glutarate
IUPAC
5-methoxy-5-oxopentanoic acid
영어명
Mono-methyl glutarate
분자식
C6H10O4
분자량
146.14

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.3
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
10

실험 및 물리화학적 성질

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

Liquid

Solid

물리화학적 성질

끓는 점
150 · 150-151 °C/10 mmHg (lit.)
밀도
1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.438(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature
용해도
에 용해됨클로로포름, 메탄올 (약간 용해됨)

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29171900
risk_code
36/38
safety_code
23-24/25
기존화학 물질
KE-24274

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

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

All Other Basic Organic Chemical Manufacturing

Pentanedioic acid, 1-methyl ester: ACTIVE

응용 분야

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

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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9건
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