2,6-다이메틸테트라하이드로-4H-PYRAN-4-ONE

Tetrahydro-2,6-dimethyl-4H-pyran-4-one

HCID 70626CAS 1073-79-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CC(=O)CC(C)O1
InChIKey: FZXBJPDVINOGBR-UHFFFAOYSA-N
분자식: C7H12O2
평균 분자량: 128.17 g/mol
단동위원소 질량: 128.08372962

이름 및 식별자

우선 이름: Tetrahydro-2,6-dimethyl-4H-pyran-4-one
IUPAC: 2,6-dimethyloxan-4-one
현지명: 2,6-다이메틸테트라하이드로-4H-PYRAN-4-ONE
영어명: 2,6-Dimethyltetrahydro-4H-pyran-4-one
분자식: C7H12O2
분자량: 128.17

이름 및 동의어

1073-79-64H-Pyran-4-one, tetrahydro-2,6-dimethyl-Tetrahydro-2,6-dimethyl-4H-pyran-4-oneRefChem:10996772,6-Dimethyldihydro-2H-pyran-4(3H)-one2,6-dimethyltetrahydro-4h-pyran-4-one2,6-dimethyloxan-4-oneMFCD016939652,6-Dimethyl-tetrahydro-pyran-4-one2,6-dimethyltetrahydropyran-4-one(2R,6R)-2,6-DIMETHYLOXAN-4-ONEtrans-2,6-Dimethyloxan-4-one

이름 더 보기

2,6-다이메틸테트라하이드로-4H-PYRAN-4-ONESKL6062,6-dimethyl-4-oxanone2,6-Dimethyltetrahydro-4-pyrone2,6-dimethyltetrahydro-1,4-pyronetetrahydro-2,6-dimethyl-4h-pyran-4-on2,6-Dimethyl-4-oxotetrahydro-2H-pyran

54513-59-6Dimethyltetrahydropyrone(2S,6S)-2,6-dimethyloxan-4-one2,6-Dimethyl tetrahydro-1,4-pyroneAI3-144104H-Pyran-4-one, tetrahydro-2,6-dimethyl-, cis-SCHEMBL614073DTXSID90910285

데이터베이스 식별자

CAS: 1073-79-6、54513-59-6
PubChem CID: 70626
DTXSID: DTXSID90910285
EC Number: 142-749-7
Nikkaji: J125.947D

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 177.6 °C · 177.6°C (rough estimate)
밀도: 0.9805 · 0.9805 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 옅은 노랑

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, P317, 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.