4-(히드록시페닐)-1-헵타논

4'-Hydroxyhexanophenone

HCID 345110CAS 2589-72-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCC(=O)c1ccc(O)cc1
InChIKey: YDGNMJZDWLQUTE-UHFFFAOYSA-N
분자식: C12H16O2
평균 분자량: 192.25 g/mol
단동위원소 질량: 192.11502975

이름 및 식별자

우선 이름: 4'-Hydroxyhexanophenone
IUPAC: 1-(4-hydroxyphenyl)hexan-1-one
현지명: 4-(히드록시페닐)-1-헵타논
영어명: 4-(Hydroxyphenyl)-1-heptanone
분자식: C12H16O2
분자량: 192.25

이름 및 동의어

4'-HydroxyhexanophenoneRefChem:506148680-017-32589-72-21-(4-hydroxyphenyl)hexan-1-one4'-Hydroxycaprophenone4-(Hydroxyphenyl)-1-heptanone1-(4-Hydroxyphenyl)-1-hexanoneMFCD00671540CHEMBL2141061-[4-Hydroxyphenyl]-1-hexanone4'-Hydroxy-n-hexanophenone

이름 더 보기

4-(히드록시페닐)-1-헵타논p-Hydroxyhexanophenonep-Hydroxyphenylhexanone4'-Hydroxyhexanophenone>4'-HYDROXY-N-HEXANOPHENONE7-(4-hydroxyphenyl)heptanalN-AMYL 4-HYDROXYPHENYL KETONE

2389-72-24-Hexanoylphenol?4-(Hydroxyphenyl)-1-heptanoneNSC4024404''-HydroxycaprophenoneAmyl 4-Hydroxyphenyl KetoneSCHEMBL1919198SCHEMBL5541108

데이터베이스 식별자

CAS: 2589-72-2
PubChem CID: 345110
DTXSID: DTXSID60948797
ChEMBL: CHEMBL214106
EC Number: 680-017-3
Nikkaji: J1.388.443I

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 63 °C · 63 °C
끓는 점: 167 °C · 167 °C / 1mmHg
밀도: 1.036 · 1.036±0.06 g/cm3(Predicted)
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.22 · 8.22±0.15(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H412 (97.4%): Harmful 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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)；Skin Sens. 1 (97.4%)；Aquatic Chronic 3 (97.4%)

안전 데이터

HS 번호: 2914500090
risk_code: 22-43-52
hazard_code: Xn

화학 및 산업

공급사35 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

연결된 노트

불러오는 중…