1-(테트라하이드로-2H-피란-4-일)에타논

1-(Tetrahydro-2H-pyran-4-yl)ethanone

HCID 9877365

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 137052-08-5
표준 SMILES: CC(=O)C1CCOCC1
InChIKey: VNMXIOWPBADSIC-UHFFFAOYSA-N
분자식: C7H12O2
평균 분자량: 128.17 g/mol
단동위원소 질량: 128.08372962

이름 및 식별자

우선 이름: 1-(Tetrahydro-2H-pyran-4-yl)ethanone
IUPAC: 1-(oxan-4-yl)ethanone
현지명: 1-(테트라하이드로-2H-피란-4-일)에타논
영어명: 1-(Tetrahydro-2H-pyran-4-yl)ethanone
분자식: C7H12O2
분자량: 128.17

이름 및 동의어

1-(Tetrahydro-2H-pyran-4-yl)ethanone4-Acetyltetrahydro-2H-pyranDTXSID40432149RefChem:428733DTXCID40382978809-972-8947-485-3137052-08-51-(oxan-4-yl)ethan-1-one1-(oxan-4-yl)ethanone4-acetyltetrahydropyranMFCD08704647

이름 더 보기

1-(테트라하이드로-2H-피란-4-일)에타논ACP1-(tetrahydro-2H-pyran-4-yl)ethan-1-oneFASN2ANDUFAB1MGC65095EOS-616431-(oxan-4-yL

Ethanone, 1-(tetrahydro-2H-pyran-4-yl)-1-tetrahydro-2H-pyran-4-ylethanone1-tetrahydropyran-4-ylethanone4-acetyltetrahydro-4H-pyran1-(Tetrahydro-pyran-4-yl)-ethanoneTetrahydro-2H-pyran-4-yl)ethanoneCS-D1226AKOS013218199

데이터베이스 식별자

CAS: 137052-08-5
PubChem CID: 9877365
DTXSID: DTXSID40432149
EC Number: 809-972-8、947-485-3
Nikkaji: J1.411.582J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 90 · 90-94℃/15mm
밀도: 1.024 · 1.024
굴절률: 1.453 · 1.4530
저장 조건: -20 °C · -20°C
물리적 상태: 액체
색상: 무색~담황색
InChI: InChI=1S/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
InChIKey: VNMXIOWPBADSIC-UHFFFAOYSA-N
SMILES: C(=O)(C1CCOCC1)C

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (50%)

Acute Tox. 4 (100%)

안전 데이터

HS 번호: 2933998090
risk_code: 42-36
hazard_code: Xn
safety_code: 22-45-26

화학 및 산업

응용 분야 · 1건

용도1-(Tetrahydro-2H-pyran-4-yl)ethanone is mainly used as an intermediate in organic synthesis and medicinal chemistry, and can be used in the synthesis of cell biology detection reagents. In organic synthetic transformations, the keto carbonyl group in 1-(Tetrahydro-2H-pyran-4-yl)ethanone can be reacted with Wittig's reagent to prepare a variety of polysubstituted olefinic compounds, and in addition, the keto carbonyl group can be reduced to a hydroxyl group by the corresponding reducing agent.