CAS 21080-80-8 Ethyl 4-cyclopropyl-2,4-dioxobutanoate (HCID 16779961)

기본 정보

CAS: 21080-80-8
표준 SMILES: CCOC(=O)C(=O)CC(=O)C1CC1
InChIKey: MHKXVJFDESXWFH-UHFFFAOYSA-N
분자식: C9H12O4
평균 분자량: 184.19 g/mol
단동위원소 질량: 184.07355886

이름 및 식별자

우선 이름: Ethyl 4-cyclopropyl-2,4-dioxobutanoate
IUPAC: ethyl 4-cyclopropyl-2,4-dioxobutanoate
현지명: 에틸4-사이클로프로필-2,4-디옥소부타노에이트
영어명: ethyl 4-cyclopropyl-2,4-dioxobutanoate
분자식: C9H12O4
분자량: 184.19

이름 및 동의어

ethyl 4-cyclopropyl-2,4-dioxobutanoate21080-80-8DTXSID90588367RefChem:343944DTXCID30539131887-664-2MFCD09052462cyclopropanebutanoic acid, alpha,gamma-dioxo-, ethyl esters118774-CYCLOPROPYL-2,4-DIOXO-BUTYRIC ACID ETHYL ESTERBS-13825Ethyl 4-cyclopropyl-2,4-dioxo-butanoate

이름 더 보기

에틸4-사이클로프로필-2,4-디옥소부타노에이트ERR_INTERNET_DISCONNECTEDthyl 4-cyclopropyl-2,4-dioxobutanoateCyclopropanebutanoicacid,α,γ-dioxo-,ethylestera,g-Dioxo-cyclopropanebutanoic acid ethyl ester4-cyclopropyl-2,4-dioxobutanoic acid ethyl ester4-cyclopropyl-2,4-diketo-butyric acid ethyl esterCyclopropanebutanoic acid, α,γ-dioxo-, ethyl ester

SY117217EN300-41906SCHEMBL1694342ALBB-028473AKOS000136056ethyl4-cyclopropyl-2,4-dioxobutanoateAB49606DA-43286

데이터베이스 식별자

CAS: 21080-80-8
PubChem CID: 16779961
DTXSID: DTXSID90588367
EC Number: 887-664-2

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 60.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 149 °C · 149 °C(Press: 23 Torr)
밀도: 1.218 · 1.218±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.79 · 6.79±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.