2,6-Diisopropylnaphthalin

2,6-Diisopropylnaphthalene

HCID 32241

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 24157-81-1
Standard-SMILES: CC(C)c1ccc2cc(C(C)C)ccc2c1
InChIKey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
Summenformel: C16H20
Durchschnittliche Molmasse: 212,33 g/mol
Monoisotopische Masse: 212,15650064

Namen und Bezeichner

Bevorzugter Name: 2,6-Diisopropylnaphthalene
IUPAC: 2,6-di(propan-2-yl)naphthalene
Lokaler Name: 2,6-Diisopropylnaphthalin
Englischer Name: 2,6-DIISOPROPYLNAPHTHALENE
Summenformel: C16H20
Molmasse: 212.33

Namen und Synonyme

2,6-DIISOPROPYLNAPHTHALENE24157-81-1Naphthalene, 2,6-bis(1-methylethyl)-2,6-DIPN2,6-Bis(1-methylethyl)naphthaleneNaphthalene, 2,6-diisopropyl-DTXSID70352721X71YEU9QBNSC-166467DTXCID5015272CHEBI:1456692,6-disopropylnaphtalene

Weitere Namen anzeigen

2,6-DIISOPRYLNAPHTHALENE2,6-diisopropyl naphtalene2,6-Diisopropylnaphthalene>2,6-Diisopropylnaphthalene,99%2,6-bis(1-methylethyl)-naphthalen2,6-BIS(1-METHYLETHYL)-NAPHTHALENE

RefChem:83260246-045-12,6-di(propan-2-yl)naphthalene2,6-Di-iso-propylnaphthaleneMFCD00021648EINECS 246-045-1UNII-1X71YEU9QBEPA Pesticide Chemical Code 055803

Datenbank-Bezeichner

CAS: 24157-81-1
PubChem CID: 32241
DTXSID: DTXSID7035272
ChEMBL: CHEMBL3182870
ChEBI: CHEBI:145669
UNII: 1X71YEU9QB
EC Number: 246-045-1
Nikkaji: J208.381G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 192

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1704；1716.8；1728；1728；1728；1735.5；1716.8；1728；1728；1728；1735.5；1727；1733；1728；1735；1725

2214；2242

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-70 °C
Siedepunkt: 279.3 °C · 279.3 °C
Dichte: 0.956 · 0.9560 (estimate)
Dampfdruck: 0.08 Pa · 0.08Pa at 25℃
Brechungsindex: 1.5774 · 1.5774 (estimate)
Flammpunkt: 140 °C · 140 °C
storage temp.: Store at room temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wichte: 0.968 · 0.968
Wasserlöslichkeit: 1 mg/L · 1mg/L at 25℃
Henry's Law Constant: 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Schröder et al. (2013)
InChI: 1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
InChIKey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
SMILES: CC(C)c1ccc2cc(ccc2c1)C(C)C
LogP: 6.5 at · 6.5 at 25℃
CAS Datenbank: 24157 · 24157-81-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,6-Diisopropylnaphthalene (24157-81-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 6.5% (3 of 46) of reports.

Warning

H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (84.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (93.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 46 reports by companies.；There are 3 notifications provided by 43 of 46 reports by companies with hazard statement code(s).；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.