5-Methylhex-5-en-2-on

5-Methyl-5-hexen-2-one

HCID 228604CAS 3240-09-3
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Grundinformationen

Standard-SMILES
C=C(C)CCC(C)=O
InChIKey
VBCIOOKAKHGVMI-UHFFFAOYSA-N
Summenformel
C7H12O
Durchschnittliche Molmasse
112,17 g/mol
Monoisotopische Masse
112,088815

Überblick

5-Methyl-5-hexen-2-one is a ketone.

Namen und Bezeichner

Bevorzugter Name
5-Methyl-5-hexen-2-one
IUPAC
5-methylhex-5-en-2-one
Lokaler Name
5-Methylhex-5-en-2-on
Englischer Name
5-Methyl-5-hexen-2-one
Summenformel
C7H12O
Molmasse
112.17

Namen und Synonyme

5-Methyl-5-hexen-2-one5-Methylhex-5-en-2-one5-Hexen-2-one, 5-methyl-FEMA No. 33656OVV4Q22O6UNII-6OVV4Q22O65-METHYLENE-2-HEXANONEEINECS 221-807-6NSC 21640NSC-216402-Methyl-1-hexene-5-oneDTXSID5062928
Weitere Namen anzeigen
FEMA 33655-methyl-5-hexen-2-on
5-METHYL-5-HEXEN-2-ONE [FHFI]RefChem:103158DTXCID9038503489673VBCIOOKAKHGVMI-UHFFFAOYSA-N3240-09-3methallylacetone5-Methyl-5-hexen-2-one, 99%

Datenbank-Bezeichner

CAS
3240-09-3
PubChem CID
228604
DTXSID
DTXSID5062928
ChEBI
CHEBI:195656
UNII
6OVV4Q22O6
EC Number
221-807-6
Nikkaji
J262.347A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.862-0.868
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

insoluble in water; soluble in fats

Miscible at room temperature (in ethanol)

Boiling Point148-149 °C

Physikochemische Eigenschaften

Siedepunkt
148 · 148-149 °C (lit.)
Dichte
0.865 g/mL · 0.865 g/mL at 25 °C (lit.)
FEMA
3365 · 3365 | 5-METHYL-5-HEXEN-2-ONE
Brechungsindex
20 · n20/D 1.431(lit.)
Flammpunkt
108 °F · 108 °F
storage temp.
2 · 2-8°C, stored under nitrogen

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 5-Hexen-2-one, 5-methyl-

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

5-Hexen-2-one, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
risk_code
10-22-41
hazard_code
Xn
safety_code
26-39

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information5-Hexen-2-one, 5-methyl-: ACTIVE

Anwendungen

BeschreibungSynthesized from methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to 200 - 215°C.

Darstellung

synthetischeFrom methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to between 200 and 215°C

Anbieter15 Anbieter

Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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