1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-

HCID 519448CAS 1755-15-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(=O)C1C(=O)CC(C)(C)CC1=O
InChIKey
ITSKWKZDPHAQNK-UHFFFAOYSA-N
Summenformel
C10H14O3
Durchschnittliche Molmasse
182,22 g/mol
Monoisotopische Masse
182,0942943

Namen und Bezeichner

Bevorzugter Name
1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
IUPAC
2-acetyl-5,5-dimethylcyclohexane-1,3-dione
Englischer Name
2-ACETYLDIMEDONE
Summenformel
C10H14O3
Molmasse
182.22

Namen und Synonyme

1755-15-31,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-RefChem:414176626-974-22-acetyl-5,5-dimethylcyclohexane-1,3-dione2-Acetyldimedone2-Acetyl-5,5-dimethyl-1,3-cyclohexanedioneMFCD004676632-acetyl-5,5-dimethyl-cyclohexane-1,3-dioneDTXSID50334029AKOS0017523561-acetyl-4,4-dimethyl-2,6-dioxocyclohexane
Weitere Namen anzeigen
DDEDDE-OH2-Acetyldimdone2-Acetyldimedone, Dde2-Acetyl-5,5-dimethyl-1,3-cyclohexadion2-ACETYL-5,5-DIMETHYL-CYCLOHEXAN-1,3-DIONE
CS-0198991N12047Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-SR-010005239972-Acetyl-5,5-dimethyl-1,3-cyclohexanedione, >=98.0% (HPLC)2-acetyl-dimedoneFT-0624468A881568

Datenbank-Bezeichner

CAS
1755-15-3
PubChem CID
519448
DTXSID
DTXSID50334029
EC Number
626-974-2
Nikkaji
J2.031.205J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
51,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
36 · 36-40 °C
Siedepunkt
132 · 132-133 °C
Dichte
1.077 · 1.077±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to lump to clear liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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 Information1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Regulatorische Informationen

Regulatory Information1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

wgk
3
hs_code
2914290090
risk_code
36/37/38
Toxizität
Principal metabolite of DDT in humans and other animals. Principal long-term storage form derived from DDT in humans and other animals. Biological half-life of several years. DDE is probably related to the chronic toxic effects of DDT such as eggshell thinning. It has been suggested recently that DDT, its metabolites, and other persistent organochlorines are possibly involved in cancer causation, particularly human breast cancer.
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Anwendungen

VerwendenReagent for the introduction of Dde group.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Zugehörige Reaktionen

8
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…