(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

HCID 6436548

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 116497-11-1
표준 SMILES: C/C=C\C(=O)C1C(C)=CCCC1(C)C
InChIKey: CRIGTVCBMUKRSL-ALCCZGGFSA-N
분자식: C13H20O
평균 분자량: 192.3 g/mol
단동위원소 질량: 192.15141526

이름 및 식별자

우선 이름: (Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
IUPAC: (Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

이름 및 동의어

(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one23726-94-52-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-K75Q978U9D(2Z)-1-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)BUT-2-EN-1-ONE2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)-a-damasconealpha damascone(Z)-alpha-damasconeUNII-K75Q978U9DDamascone, alphaEINECS 245-845-8

이름 더 보기

SCHEMBL2131065(Z)-.ALPHA.-DAMASCONEDTXSID2051891(S)-(E)-(-)-alpha-damascone.ALPHA.-DAMASCONE, (Z)-cis-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-DB-237013NS00013180

데이터베이스 식별자

CAS: 116497-11-1、23726-94-5
PubChem CID: 6436548
DTXSID: DTXSID2051891
UNII: K75Q978U9D
EC Number: 245-845-8
Nikkaji: J242.654D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 282

실험 및 물리화학적 성질

Melting Point22 - 23 °C

Physical DescriptionSolid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (18.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 275 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.