CAS 33209-72-2 3,4-Dihydro-7-hydroxy-4,4-dimethyl-1(2H)-naphthalenone (HCID 22101865)

기본 정보

CAS: 33209-72-2
표준 SMILES: CC1(C)CCC(=O)c2cc(O)ccc21
InChIKey: HDBIRTDFQWFPKV-UHFFFAOYSA-N
분자식: C12H14O2
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.09937969

이름 및 식별자

우선 이름: 3,4-Dihydro-7-hydroxy-4,4-dimethyl-1(2H)-naphthalenone
IUPAC: 7-hydroxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
영어명: 4,4,7-Trimethyl-1,2,3,4-tetrahydronaphthalen-1-one
분자식: C12H14O2
분자량: 190.24

이름 및 동의어

33209-72-27-HYDROXY-4,4-DIMETHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONEDTXSID0012074513,4-Dihydro-7-hydroxy-4,4-dimethyl-1(2H)-naphthalenoneRefChem:486203DTXCID101638849875-312-04,4-Dimethyl-7-hydroxy-1-tetralone7-hydroxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one7-Hydroxy-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-oneSCHEMBL8662092SCHEMBL31650524

이름 더 보기

4,4,7-Trimethyl-1,2,3,4-tetrahydronaphthalen-1-one

HDBIRTDFQWFPKV-UHFFFAOYSA-N7-hydroxy-4,4-dimethyl-tetralin-1-oneN15494EN300-87984581(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-4,4-dimethyl-

데이터베이스 식별자

CAS: 33209-72-2
PubChem CID: 22101865
DTXSID: DTXSID001207451
EC Number: 875-312-0

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 245

물리화학적 성질

끓는 점: 348.5 · 348.5±41.0 °C(Predicted)
밀도: 1.121 · 1.121±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.45 · 9.45±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.