4'-Hydroxyhexanophenone

HCID 345110CAS 2589-72-2
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Grundinformationen

Standard-SMILES
CCCCCC(=O)c1ccc(O)cc1
InChIKey
YDGNMJZDWLQUTE-UHFFFAOYSA-N
Summenformel
C12H16O2
Durchschnittliche Molmasse
192,25 g/mol
Monoisotopische Masse
192,11502975

Namen und Bezeichner

Bevorzugter Name
4'-Hydroxyhexanophenone
IUPAC
1-(4-hydroxyphenyl)hexan-1-one
Englischer Name
4-(Hydroxyphenyl)-1-heptanone
Summenformel
C12H16O2
Molmasse
192.25

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
63 °C · 63 °C
Siedepunkt
167 °C · 167 °C / 1mmHg
Dichte
1.036 · 1.036±0.06 g/cm3(Predicted)
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal
pka
8.22 · 8.22±0.15(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

hs_code
2914500090
risk_code
22-43-52
hazard_code
Xn

Chemie und Industrie

Anbieter35 Anbieter

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]

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