CAS 14505-80-7 (2R,6S)-2,6-dimethyloxan-4-one (HCID 10441716)

기본 정보

CAS: 14505-80-7
표준 SMILES: C[C@@H]1CC(=O)C[C@H](C)O1
InChIKey: FZXBJPDVINOGBR-OLQVQODUSA-N
분자식: C7H12O2
평균 분자량: 128.17 g/mol
단동위원소 질량: 128.08372962

이름 및 식별자

우선 이름: (2R,6S)-2,6-dimethyloxan-4-one
IUPAC: (2R,6S)-2,6-dimethyloxan-4-one
영어명: cis-2,6-dimethyloxan-4-one
분자식: C7H12O2
분자량: 128.17

이름 및 동의어

14505-80-7(2R,6S)-2,6-DIMETHYLOXAN-4-ONERefChem:397680826-882-4cis-2,6-dimethyloxan-4-onecis-2,6-dimethyldihydro-2H-pyran-4(3H)-one(2S,6R)-2,6-dimethyloxan-4-oneMFCD279448364H-Pyran-4-one, tetrahydro-2,6-dimethyl-, (2R,6S)-rel-(2R,6S)-2,6-dimethyltetrahydro-4H-pyran-4-one4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, cis-cis-2,6-Dimethyl-tetrahydro-pyran-4-one

이름 더 보기

rel-(2R,6S)-2,6-dimethyltetrahydro-4H-pyran-4-one

SCHEMBL569096(2R,6S)-2,6-dimethyldihydro-2H-pyran-4(3H)-oneFZXBJPDVINOGBR-OLQVQODUSA-NAKOS022965794cis-2,6-Dimethyltetrahydropyran-4-oneAS-48440SY121992cis-2,6-dimethyltetrahydro-4H-pyran-4-one

데이터베이스 식별자

CAS: 14505-80-7
PubChem CID: 10441716
EC Number: 826-882-4

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: 50 °C · 50 °C(Press: 9.0 Torr)
밀도: 0.956 · 0.956±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.