2,6-Dimethylheptan-3,5-dion

3,5-Heptanedione, 2,6-dimethyl-

HCID 87597CAS 18362-64-6

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Grundinformationen

Standard-SMILES: CC(C)C(=O)CC(=O)C(C)C
InChIKey: CEGGECULKVTYMM-UHFFFAOYSA-N
Summenformel: C9H16O2
Durchschnittliche Molmasse: 156,22 g/mol
Monoisotopische Masse: 156,11502975

Namen und Bezeichner

Bevorzugter Name: 3,5-Heptanedione, 2,6-dimethyl-
IUPAC: 2,6-dimethylheptane-3,5-dione
Lokaler Name: 2,6-Dimethylheptan-3,5-dion
Englischer Name: 2,6-Dimethyl-3,5-heptanedione
Summenformel: C9H16O2
Molmasse: 156.22

Namen und Synonyme

2,6-Dimethyl-3,5-heptanedione18362-64-63,5-Heptanedione, 2,6-dimethyl-EINECS 242-234-8DTXSID80879615RefChem:91638DTXCID201017624CEGGECULKVTYMM-UHFFFAOYSA-N2,6-Dimethylheptane-3,5-dioneMFCD00015040DiisobutyrylmethaneSCHEMBL181668

Weitere Namen anzeigen

2,6-dimethyl-5-heptanedioneAKOS MSC-03842,6-Dimethylheptan-3,5-dion2,6-Dimethyl-3,5-heptadione2,6-Dimethyl-3,5-heptanedione>2,6-Dimethyl-3,5-heptanedione,99%

2,6-dimethyl-3,5-heptandione2,6-dimethyl-heptane-3,5-dioneSBB056494AKOS004115273CS-W017999AS-47892SY010595A4059

Datenbank-Bezeichner

CAS: 18362-64-6
PubChem CID: 87597
DTXSID: DTXSID80879615
EC Number: 242-234-8
Nikkaji: J266.134I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1120；1076

Physikochemische Eigenschaften

Siedepunkt: 66 °C · 66 °C (8 mmHg)
Dichte: 1.4586 · 1.4586
Brechungsindex: 1.4575 · 1.4575-1.4595
Flammpunkt: 62 °C · 62 °C
storage temp.: 2 · 2-8°C
pka: 10.3 · 10.30±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 0.91 · 0.91
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Slightly Soluble in water. (3.9 g/L) (25°C)
CAS Datenbank: 18362 · 18362-64-6(CAS DataBase Reference)
EPA chemische Informationen: 3 · 3,5-Heptanedione, 2,6-dimethyl- (18362-64-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 3 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 CategoriesFlam. Liq. 3 (92.9%)；Skin Irrit. 2 (92.9%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (92.9%)

Sicherheitsdaten

tsca: TSCA listed
ridadr: 1224
hs_code: 29141990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
hazard_class: 3
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3,5-Heptanedione, 2,6-dimethyl-: ACTIVE

Anwendungen

Verwenden2,6-Dimethyl-3,5-heptanedione is a metal chelating agent and it is used in the preparation of metal diketonates for Metal-Organic Chemical Vapor Deposition (MOCVD).