5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

HCID 226702CAS 22825-11-2

기본 정보

표준 SMILES: COc1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIKey: ZHZCSOFYUGAJBH-UHFFFAOYSA-N
분자식: C16H24O
평균 분자량: 232.36 g/mol
단동위원소 질량: 232.18271539

이름 및 식별자

우선 이름: 5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

이름 및 동의어

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene22825-11-2DTXSID50280552RefChem:303643DTXCID50231706660-980-6NSC17414SCHEMBL9217192ZHZCSOFYUGAJBH-UHFFFAOYSA-N1,1,4,4,7-pentamethyl-5-methoxy-1,2,3,4-tetrahydronaphthaleneNSC-17414AKOS024325149

이름 더 보기

1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene

데이터베이스 식별자

CAS: 22825-11-2
PubChem CID: 226702
DTXSID: DTXSID50280552
EC Number: 660-980-6

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 279

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.