Cycloheptanone

HCID 178797956

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Grundinformationen

CAS: 17616-76-1
Standard-SMILES: O=C1CCCCCC1
InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N
Summenformel: C7H12O
Durchschnittliche Molmasse: 112,17 g/mol

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: Cycloheptanone
IUPAC: cycloheptanone
Englischer Name: Cycloheptanone-2,2,7,7-d4
Summenformel: C7H12O
Molmasse: 112.17

Namen und Synonyme

CYCLOHEPTANONE502-42-1KetocycloheptaneSuberoneSuberonKetoheptamethyleneNSC-9471DTXSID8060113QH80295937RefChem:129511DTXCID7040788207-937-6

Weitere Namen anzeigen

Cycloheptanone-2,2,7,7-d42,2,7,7-tetradeuteriocycloheptanone

cycloheptan-1-oneCHEMBL18607cycloheptanonMFCD00004159HSDB 2819NSC 9471EINECS 207-937-6cyclo-heptanone

Datenbank-Bezeichner

CAS: 17616-76-1
ChEMBL: CHEMBL18607
UNII: QH80295937
EC Number: 207-937-6
Nikkaji: J6.199I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,4

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Ketones (<C12)

SpringerMaterials PropertiesSchoenflies notation

Density0.9508 @ 20 °C/4 °C

SolubilityINSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL

Boiling Point178.5-179.5 @ 760 MM HG

Refractive IndexINDEX OF REFRACTION: 1.4608 @ 20 °C; MAX ABSORPTION (ALCOHOL): 285 NM (LOG E= 1.30)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Danger

H226 (98%): 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 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Cycloheptanone

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23573

Cycloheptanone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Fire PotentialKETONES ARE GENERALLY QUITE STABLE CHEMICALLY BUT ALL OF THEM ARE FLAMMABLE TO SOME DEGREE. IT IS IMPORTANT...THAT DUE CONSIDERATION BE GIVEN TO THIS PROPERTY IN THEIR INDUSTRIAL HANDLING. /KETONES/

Hazards SummaryEffects in high-dose animal studies include excitement, cardiac arrhythmias, and coma; [RTECS] An irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 3 (98%)

Toxikologische Informationen

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

NOVEL MINOR (1-2%) METABOLITES...HAVE BEEN DETECTED IN RAT & RABBIT URINE. 2-HYDROXYCYCLOALKYLMERCAPTURIC ACIDS...WHICH WERE PRESENT AS...SULFATES ('DOUBLE CONJUGATES') ARE PRESUMABLY FORMED BY WAY OF DEHYDRATION OF THE CYCLOALKANOLS (MAJOR METABOLITE) TO CYCLOALKENES WITH SUBSEQUENT EPOXIDATION & MERCAPTURATION.

Absorption, Distribution and ExcretionTHEY DO NOT TEND TO ACCUMULATE IN BODY TISSUES... /ALICYCLIC HYDROCARBONS/

Verwendung und Herstellung

Uses · 3 Einträge

Used for research and as an intermediate; [Hawley] Used as a food additive; [HSDB]

AS FOOD ADDITIVE

/USED TO SYNTHESIZE/ (14)C-LABELLED FORMS OF THE SPASMOLYTIC AGENT 1-BENZYL-1-(3'-DIMETHYLAMINOPROPOXY)CYCLOHEPTANE FUMARATE...

Methods of ManufacturingPREPARED FROM CYCLOHEXANOL WITH 1-(AMINOMETHYL)CYCLOHEXANOL AS INTERMEDIATE: BLICKE ET AL, J AM CHEM SOC 74, 2924 (1952). OTHER METHODS: ORG SYN COLL VOL IV, 221-228 (1963).

General Manufacturing InformationCycloheptanone: ACTIVE

Anbieter2 Anbieter

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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