6-Methylheptan-2-on

6-Methyl-2-heptanone

HCID 13572CAS 928-68-7

Grundinformationen

Standard-SMILES
CC(=O)CCCC(C)C
InChIKey
DPLGXGDPPMLJHN-UHFFFAOYSA-N
Summenformel
C8H16O
Durchschnittliche Molmasse
128,21 g/mol
Monoisotopische Masse
128,12011513

Namen und Bezeichner

Bevorzugter Name
6-Methyl-2-heptanone
IUPAC
6-methylheptan-2-one
Lokaler Name
6-Methylheptan-2-on
Englischer Name
6-Methyl-2-heptanone
Summenformel
C8H16O
Molmasse
128.21

Namen und Synonyme

6-Methylheptan-2-one928-68-76-METHYL-2-HEPTANONE2-Heptanone, 6-methyl-2-Methyl-6-heptanone2-IsooctanoneMethyl isohexyl ketoneN203Q7UI56NSC-39665DTXSID7061302RefChem:473855DTXCID3048819
Weitere Namen anzeigen
2-Heptanone,6-methyl-6-methyl-2-heptanonDK953NSC 39665-2-heptanoneIsooctan-2-oneiso-Amylacetoneiso-Pentylacetone
213-179-7MFCD000265276-methyl-heptan-2-oneMethyl 4-Methylpentyl KetoneUNII-N203Q7UI562-Isooctanone; 2-Methyl-6-heptanone; 6-Methyl-2-heptanone; Isooctan-2-one; Methyl isohexyl ketone; NSC 39665NSC39665EINECS 213-179-7

Datenbank-Bezeichner

CAS
928-68-7
PubChem CID
13572
DTXSID
DTXSID7061302
ChEBI
CHEBI:184396
UNII
N203Q7UI56
EC Number
213-179-7
Nikkaji
J7.176E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Density0.8151 @ 20°C
Boiling Point167 °C @760 [mm Hg]
Physical DescriptionLiquid; [IUCLID]
Kovats Retention Index · 3 Einträge

947;957;957;957

932;956;957;962;954;957;956;954;949;955;954;965;955.1;963

1228;1236;1259;1247;1247;1247;1236;1237;1228;1221

Physikochemische Eigenschaften

Schmelzpunkt
-32.24 °C · -32.24°C (estimate)
Siedepunkt
171 °C · 171°C
Dichte
0 · 0,82 g/cm3
Brechungsindex
1.411 · 1.4110-1.4160
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Sparingly), Ethyl Acetate (Slightly))

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.

Warning

H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 3 of 43 reports by companies.;There are 3 notifications provided by 40 of 43 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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Heptanone, 6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Heptanone, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryNo mortalities observed in rats exposed to saturated vapor for 8 hours; Not irritating to rabbit skin or eyes; [IUCLID] May cause irritation; [Sigma-Aldrich MSDS] See Diisobutyl ketone.
Hazard Classes and Categories · 2 Einträge

Eye Irrit. 2A (90.7%)

Flammable liquids - Category 3;Hazardous to the aquatic environment (Acute) - Category 3;Hazardous to the aquatic environment (Long-term) - Category 3

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

75 [ppm]

500 [ppm]

3000 [ppm]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 2-Heptanone, 6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Heptanone, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
WGK 1
tsca
TSCA listed
ridadr
1224
hs_code
2914199090
risk_code
10-36
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Heptanone, 6-methyl-: ACTIVE

Anwendungen

Verwenden6-Methyl-2-heptanone is used in the synthesis of antifungal crassinervic acid analogs. Also used in the synthesis of BACE-1 inhibitors in the treatment of Alzheimer’s disease.

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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