Octahydro-4,7-methano-5H-inden-5-on

4,7-Methano-5H-inden-5-one, octahydro-

HCID 96509CAS 13380-94-4

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Grundinformationen

Standard-SMILES: O=C1CC2CC1C1CCCC21
InChIKey: OMIDXVJKZCPKEI-UHFFFAOYSA-N
Summenformel: C10H14O
Durchschnittliche Molmasse: 150,22 g/mol
Monoisotopische Masse: 150,10446507

Namen und Bezeichner

Bevorzugter Name: 4,7-Methano-5H-inden-5-one, octahydro-
IUPAC: tricyclo[5.2.1.02,6]decan-8-one
Lokaler Name: Octahydro-4,7-methano-5H-inden-5-on
Englischer Name: TRICYCLO[5.2.1.02,6]DECAN-8-ONE
Summenformel: C10H14O
Molmasse: 150.22

Namen und Synonyme

4,7-Methano-5H-inden-5-one, octahydro-Tricyclo[5.2.1.02,6]decan-8-oneTricyclo(5.2.1.02,6)decane-8-oneEINECS 236-458-54,7-Methanoindan-5(4H)-one, tetrahydro-NSC 77098DTXSID90474638-Ketotricyclo(5.2.1.0(sup2,6))decaneTricyclo(5.2.1.02,6)decan-8-oneBRN 19079678-Oxotricyclo(5.2.1.0(sup2,6))decaneAI3-12157

Weitere Namen anzeigen

Octahydro-5H-4,7-methanoinden-5-oneCorodanetricyclodecane-8-oneTRICYCLO[5.2.1.0]DECAN-8-ONETricyclo[5.2.1.02.6]-8-decanoneTRICYCLO[5.2.1.02'6]DECAN-8-ONETricyclo[5.2.1.0(2,6)]decanone-8-Oxotricyclo[5.2.1.0(2,6)]decane

8-Oxotricyclo(5.2.1.0(sup 2,6))decane8-Ketotricyclo(5.2.1.0(sup 2,6))decaneTricyclo(5.2.1.0(sup 2,6))decan-8-oneDTXCID70274632-07-00-00133 (Beilstein Handbook Reference)Tricyclo[5.2.1.02,6]decane-8-one8-Ketotricyclo[5.2.1.0(sup2,6)]decane8-Oxotricyclo[5.2.1.0(sup2,6)]decane

Datenbank-Bezeichner

CAS: 13380-94-4
PubChem CID: 96509
DTXSID: DTXSID9047463
ChEMBL: CHEMBL3188674
EC Number: 236-458-5
Nikkaji: J48.660D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 209

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Tricyclo[5.2.1.02,6]decan-8-one) -> IFRA transparency List

Physikochemische Eigenschaften

Siedepunkt: 132 °C · 132 °C / 30mmHg
Dichte: 1.05 · 1.05
Brechungsindex: 1.5 to · 1.5000 to 1.5030
Flammpunkt: 102 °C · 102 °C
storage temp.: 2 · Storage temp. 2-8°C
Wasserlöslichkeit: Slightly soluble in water
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 2.017 · 2.017 (est)
CAS Datenbank: 13380 · 13380-94-4
EPA chemische Informationen: 4 · 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 86.1% (205 of 238) of all reports.

Warning

H302+H312 (12.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 238 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 4,7-Methano-5H-inden-5-one, octahydro-

Other Safety InformationIMAP assessments - 4,7-Methano-5H-inden-5-one, octahydro-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (13.4%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2914.29.5000
RTECS-Nr.: PC0350000
Toxizität: LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing Information4,7-Methano-5H-inden-5-one, octahydro-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenOctahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).