1-Phenyldecan-1,3-dion

1,3-Decanedione, 1-phenyl-

HCID 111696CAS 68892-13-7
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Grundinformationen

Standard-SMILES
CCCCCCCC(=O)CC(=O)c1ccccc1
InChIKey
IFQULAPKPYIHBS-UHFFFAOYSA-N
Summenformel
C16H22O2
Durchschnittliche Molmasse
246,34 g/mol
Monoisotopische Masse
246,16197994

Namen und Bezeichner

Bevorzugter Name
1,3-Decanedione, 1-phenyl-
IUPAC
1-phenyldecane-1,3-dione
Lokaler Name
1-Phenyldecan-1,3-dion
Englischer Name
1-Phenyldecane-1,3-dione
Summenformel
C16H22O2
Molmasse
246.34

Namen und Synonyme

1-Phenyldecane-1,3-dione68892-13-71,3-Decanedione, 1-phenyl-EINECS 272-599-91-Phenyl-3-heptyl-1,3-propanedioneDTXSID7071810RefChem:414188DTXCID3046293272-599-91-Phenyl-1,3-decanedione1,3-Decanedione,1-phenyl-MFCD09025938
Weitere Namen anzeigen
1(phenyl)-1,3decanedioneSCHEMBL98359AS-92628SY264599NS00020022G71327N-[3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]propyl]carbamic acid (phenylmethyl) ester

Datenbank-Bezeichner

CAS
68892-13-7
PubChem CID
111696
DTXSID
DTXSID7071810
EC Number
272-599-9
Nikkaji
J105.980G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
34,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
9
Schwere Atome
18

Physikochemische Eigenschaften

Siedepunkt
357.2 · 357.2±15.0 °C(Predicted)
Dichte
0.984 · 0.984±0.06 g/cm3(Predicted)
Dampfdruck
0.005 Pa · 0.005Pa at 20℃
pka
8.81 · 8.81±0.28(Predicted)
Wasserlöslichkeit
387 μg/L · 387μg/L at 20℃
LogP
6.5 at · 6.5 at 20℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 88% (22 of 25) of all reports.

Warning

H317 (12%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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

Aggregated GHS information provided per 25 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,3-Decanedione, 1-phenyl-

1,3-Decanedione, 1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Decanedione, 1-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21109

1,3-Decanedione, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1B (12%)

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
General Manufacturing Information1,3-Decanedione, 1-phenyl-: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter29 Anbieter

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广州凯途化学有限公司18802095185 · [email protected]

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