Dimethyl 3-oxoglutarate

HCID 74591CAS 1830-54-2
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기본 정보

표준 SMILES
COC(=O)CC(=O)CC(=O)OC
InChIKey
RNJOKCPFLQMDEC-UHFFFAOYSA-N
분자식
C7H10O5
평균 분자량
174.15 g/mol
단동위원소 질량
174.05282342

개요

Dimethyl 3-oxopentanedioate is an oxo carboxylic acid.

이름 및 식별자

우선 이름
Dimethyl 3-oxoglutarate
IUPAC
dimethyl 3-oxopentanedioate
영어명
Dimethyl 1,3-acetonedicarboxylate
분자식
C7H10O5
분자량
174.15

이름 및 동의어

1830-54-2Dimethyl 3-oxopentanedioateDimethyl 3-oxoglutaratePentanedioic acid, 3-oxo-, dimethyl ester1,5-dimethyl 3-oxopentanedioateDimethyl acetonedicarboxylatePentanedioic acid, 3-oxo-, 1,5-dimethyl esterDimethyl-3-oxoglutarateDimethyl beta-oxoglutarateGlutaric acid, 3-oxo-, dimethyl esterAcetone dicarboxylic acid, dimethyl esterPVX284APC6
이름 더 보기
DIMETHYL ACETONE-1,3-DICARBOXYLATE3-OXOGLUTARIC ACID DIMETHYL ESTERDiMethyl 1Dimethyl 1,3-acetone3-acetonedicarboxylateDIMETHYL 3-OXOLUTARATEDimethyl-3-oxoglutaratMethyl-3-oxopentandioat
NSC 4677NSC-4677EINECS 217-385-8AI3-05633DTXSID5062007EC 217-385-83-OXO-PENTANEDIOIC ACIDO,DIMETHYL ESTERDimethyl betaoxoglutarate

데이터베이스 식별자

CAS
1830-54-2
PubChem CID
74591
DTXSID
DTXSID5062007
ChEBI
CHEBI:173797
UNII
PVX284APC6
EC Number
217-385-8
Nikkaji
J26.315J

물성

구조 계산 물성

XLogP
0
극성 표면적
69.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionLight yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
16 · 16-17°C
끓는 점
237 · 237-241 °C/760 mmHg (lit.)
밀도
1.206 g/mL · 1.206 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.444(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C

화학적 성질

colorless to yellowish

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3% (2 of 67) of reports.

Warning

H317 (97%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Pentanedioic acid, 3-oxo-, dimethyl ester

Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23558

Dimethyl-3-oxoglutarate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

May cause skin sensitization; [ECHA REACH Registrations] An eye irritant; May cause skin sensitization; [Sigma-Aldrich MSDS] See Glutaric acid. Search for (1830-54-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesSkin Sens. 1 (97%)

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

안전 데이터

wgk
1
tsca
TSCA listed
HS 번호
29183000
risk_code
43
hazard_code
Xi
safety_code
36/37

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [ECHA REACH Registrations]
General Manufacturing InformationPentanedioic acid, 3-oxo-, 1,5-dimethyl ester: ACTIVE

응용 분야

용도Dimethyl 1,3-acetonedicarboxylate is used as intermediate for the syntheses of organic chemicals. Product Data Sheet

상·하류 제품 정보

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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