3,3,5-Trimethylcyclohexan-1-on

3,3,5-Trimethylcyclohexanone

HCID 13398CAS 873-94-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC1CC(=O)CC(C)(C)C1
InChIKey
POSWICCRDBKBMH-UHFFFAOYSA-N
Summenformel
C9H16O
Durchschnittliche Molmasse
140,22 g/mol
Monoisotopische Masse
140,12011513

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
3,3,5-Trimethylcyclohexanone
IUPAC
3,3,5-trimethylcyclohexan-1-one
Lokaler Name
3,3,5-Trimethylcyclohexan-1-on
Englischer Name
3,3,5-Trimethylcyclohexanone
Summenformel
C9H16O
Molmasse
140.22

Namen und Synonyme

3,3,5-TRIMETHYLCYCLOHEXANONE873-94-93,3,5-Trimethylcyclohexan-1-oneDihydroisophoroneCyclohexanone, 3,3,5-trimethyl-QXG9U7N202DTXSID5044996J68.885ADTXCID3024996RefChem:90755212-855-9Trimethylcyclohexanone
Weitere Namen anzeigen
3,5,5-Triethylcyclohexanone3,3,5-trimethyl-cyclohexanon3,3,5-trimethyi-cyclohexanone3,3,5-Trimethylcyclohexan-1-on3,3,5-Trimethyl-1-cyclohexanone
Dihydro-isophoroneEINECS 212-855-9UNII-QXG9U7N202MFCD000194663,5,5-TrimethylcyclohexanoneAI3-33978EC 212-855-93,5,5-trimethyl cyclohexanone

Datenbank-Bezeichner

CAS
873-94-9
PubChem CID
13398
DTXSID
DTXSID5044996
ChEMBL
CHEMBL3186483
UNII
QXG9U7N202
EC Number
212-855-9
Nikkaji
J68.885A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
Flavoring AgentsEU Flavoring substances
Physical Description · 2 Einträge

Liquid

Clear colorless liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-10 °C · -10 °C (lit.)
Siedepunkt
188 · 188-192 °C (lit.)
Dichte
0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
Dampfdruck
60 · 60-133.36Pa at 20-30.99℃
Brechungsindex
20 · n20/D 1.445(lit.)
Flammpunkt
150 °F · 150 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P317, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1502 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Cyclohexanone, 3,3,5-trimethyl-

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

Cyclohexanone, 3,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 3,3,5-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-11-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5246

3,3,5-Trimethylcyclohexanone: 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
Hazards Summary · 1 Eintrag

Causes somnolence in inhalation lethal-concentration studies of rats; Causes changes in lung and liver weights in 4-week intermittent inhalation studies of rats; [RTECS] An irritant; Inhalation of high concentrations may cause CNS depression and asphyxiation; [Acros Organics MSDS] See Cyclohexanone.

Hazard Classes and CategoriesEye Irrit. 2A (10.6%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 14,200 mg/m3

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29142200
RTECS-Nr.
GW2185000
risk_code
37/38-41-36/37/38-36/37
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Cyclohexanone, 3,3,5-trimethyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3,3,5-Trimethylcyclohexanone is used as a raw material for chemical syntheses e,g. monomer for specialty polycarbonate (Apec®); peroxides used as polymerization initiator. It is also used in coatings and paints to provide improved leveling, gloss and surface finish.

Darstellung

synthetische3,3,5-Trimethylcyclohexanone is produced by catalytic hydrogenation of iso-Phorone.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Zugehörige Reaktionen

55
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…