5-Methyl-3-hexen-2-on

5-Methylhex-3-en-2-one

HCID 21244
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Grundinformationen

CAS
5166-53-0
Standard-SMILES
CC(=O)C=CC(C)C
InChIKey
IYMKNYVCXUEFJE-UHFFFAOYSA-N
Summenformel
C7H12O
Durchschnittliche Molmasse
112,17 g/mol
Monoisotopische Masse
112,088815

Namen und Bezeichner

Bevorzugter Name
5-Methylhex-3-en-2-one
IUPAC
5-methylhex-3-en-2-one
Lokaler Name
5-Methyl-3-hexen-2-on
Englischer Name
5-Methyl-3-hexen-2-one
Summenformel
C7H12O
Molmasse
112.17

Namen und Synonyme

5-Methylhex-3-en-2-oneRefChem:537264Isobutylidenaceton5-methyl-3-hexene-2-oneSCHEMBL3207405-?Methyl-?3-?hexen-?2-?oneAKOS028110111DB-100401M2366NS00022277F868672FEMA 3409
Weitere Namen anzeigen
filbert hexenone3-Hexen-2-one, 5-Me5-methyl-3-hexen-2-on3-HEXAN-2-ONE,5-METHYL5-Methyl-3-hexen-2-one2-Oxo-5-methylhex-3-ene5-Methyl-2-oxohex-3-ene

Datenbank-Bezeichner

CAS
5166-53-0
PubChem CID
21244
DTXSID
DTXSID1063726
EC Number
225-950-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Density0.838-0.843
Solubility · 2 Einträge

insoluble in water

Miscible at room temperature (in ethanol)

Boiling Point77.5 °C (50 mm Hg)
Refractive Index1.437-1.441
Physical Descriptionclear colourless liquid; pungent metalic odour

Physikochemische Eigenschaften

Siedepunkt
157 °C · 157°C
Dichte
0.85 g/mL · 0.85 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.44(lit.)
FEMA
3409 · 3409 | 5-METHYL-3-HEXEN-2-ONE
Flammpunkt
118 °F · 118 °F
storage temp.
2 · Storage temp. 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H319 (85.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (85.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (12.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 303 reports by companies from 4 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

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 3 (100%)；Eye Irrit. 2 (85.5%)；Acute Tox. 3 (85.5%)；Acute Tox. 4 (12.9%)

Regulatorische Informationen

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1992 3/PG 3
hs_code
2914199090
RTECS-Nr.
MP8750000
risk_code
10-20/21/22-24-20/22

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFlavoring Agents -> JECFA Flavorings Index

Anwendungen

OccurrenceReported found in roasted filberts, green tea, cooked and roasted shrimp.

Verwenden5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter45 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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