4'-ヒドロキシヘキサノフェノン

4'-Hydroxyhexanophenone

HCID 345110CAS 2589-72-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCC(=O)c1ccc(O)cc1
InChIKey: YDGNMJZDWLQUTE-UHFFFAOYSA-N
分子式: C12H16O2
平均分子量: 192.25 g/mol
単同位体質量: 192.11502975

名称と識別子

優先名称: 4'-Hydroxyhexanophenone
IUPAC: 1-(4-hydroxyphenyl)hexan-1-one
現地名: 4'-ヒドロキシヘキサノフェノン
英語名: 4-(Hydroxyphenyl)-1-heptanone
分子式: C12H16O2
分子量: 192.25

名称と別名

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

名称をさらに表示

4'-ヒドロキシヘキサノフェノン4'-ヒドロキシ-n-ヘキサノフェノン4'-ヒドロキシカプロフェノン1-(4-ヒドロキシフェニル)ヘキサン-1-オン4′-ヒドロキシヘキサフェノン1-(4-ヒドロキシフェニル)-1-ヘキサノンp-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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 63 °C · 63 °C
沸点: 167 °C · 167 °C / 1mmHg
比重(密度): 1.036 · 1.036±0.06 g/cm3(Predicted)
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 8.22 · 8.22±0.15(Predicted)
色: White to Almost white
CAS データベース: 2589 · 2589-72-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

hs_code: 2914500090
risk_code: 22-43-52
hazard_code: Xn

化学と産業

サプライヤー35 社

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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]