테트라히드로-4-메틸-2H-피란-2-온

beta-Methyl-delta-valerolactone

HCID 79142CAS 1121-84-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCOC(=O)C1
InChIKey: YHTLGFCVBKENTE-UHFFFAOYSA-N
분자식: C6H10O2
평균 분자량: 114.14 g/mol
단동위원소 질량: 114.06807956

개요

4-methyltetrahydro-2H-pyran-2-one has been reported in Nicotiana tabacum with data available.

이름 및 식별자

우선 이름: beta-Methyl-delta-valerolactone
IUPAC: 4-methyloxan-2-one
현지명: 테트라히드로-4-메틸-2H-피란-2-온
영어명: tetrahydro-4-methyl-2H-pyran-2-one
분자식: C6H10O2
분자량: 114.14

이름 및 동의어

Tetrahydro-4-methyl-2H-pyran-2-oneEINECS 214-338-3DTXSID10862555NSC 32358RefChem:567909DTXCID00811299214-338-3beta-Methyl-delta-valerolactone4-Methyltetrahydro-2H-pyran-2-one1121-84-24-methyloxan-2-one2H-Pyran-2-one, tetrahydro-4-methyl-

이름 더 보기

테트라히드로-4-메틸-2H-피란-2-온β-Methyl-δ-valerolacto3-Methyl-5-pentanolide3-Methyl-5-valerolactone3-Methyl-5-hydroxypentanoic acid lactone

MFCD001290644-methyltetrahydropyran-2-one(R)-4-Methyltetrahydro-2H-pyran-2-one(S)-4-Methyltetrahydro-2H-pyran-2-one4-METHYLTETRAHYDRO-2-PYRONENSC32358SCHEMBL27575SCHEMBL72507

데이터베이스 식별자

CAS: 1121-84-2
PubChem CID: 79142
DTXSID: DTXSID10862555
ChEMBL: CHEMBL457027
EC Number: 214-338-3
Nikkaji: J94.821G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.7

물리화학적 성질

끓는 점: 90 °C · 90 °C(Press: 12 Torr)
밀도: 1.044 g/cm3 · 1.044 g/cm3(Temp: 25 °C)
InChI: InChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3
InChIKey: YHTLGFCVBKENTE-UHFFFAOYSA-N
SMILES: C1(=O)OCCC(C)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.