2-Ethyl-2-methyl-1,3-dioxolan

2-Ethyl-2-methyl-1,3-dioxolane

HCID 61067

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Grundinformationen

CAS: 126-39-6
Standard-SMILES: CCC1(C)OCCO1
InChIKey: UPZFLZYXYGBAPL-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: 2-Ethyl-2-methyl-1,3-dioxolane
IUPAC: 2-ethyl-2-methyl-1,3-dioxolane
Lokaler Name: 2-Ethyl-2-methyl-1,3-dioxolan
Englischer Name: 2-ETHYL-2-METHYL-1,3-DIOXOLANE
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

2-Ethyl-2-methyl-1,3-dioxolane2-Methyl-2-ethyl-1,3-dioxolaneEthyleneacetic acid1,3-DIOXOLANE, 2-ETHYL-2-METHYL-NSC 829UNII-Y488VJJ1FVEINECS 204-785-2Y488VJJ1FVBRN 0102815AI3-25310NSC-829DTXSID7059565

Weitere Namen anzeigen

Ethyleneacetic acid.2-Methyl-2-ethyldioxolane2-Ethyl-2-methyldioxolane2-BUTANONE ETHYLENE ACETAL2-ethyl-2-methyl-3-dioxolane(1,3-Dioxolan-2-yl)acetonitrile2-BUTANONE CYCLIC ETHYLENE ACETAL

UPZFLZYXYGBAPL-UHFFFAOYSA-2-BUTANONE ETHYLENE KETAL5-19-01-00083 (Beilstein Handbook Reference)RefChem:86871DTXCID1033876InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3UPZFLZYXYGBAPL-UHFFFAOYSA-N126-39-6

Datenbank-Bezeichner

CAS: 126-39-6
PubChem CID: 61067
DTXSID: DTXSID7059565
UNII: Y488VJJ1FV
EC Number: 204-785-2
Nikkaji: J42.130H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 74

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index766；779；768

Physikochemische Eigenschaften

Schmelzpunkt: -81.9 °C · -81.9°C
Siedepunkt: 116 · 116-117 °C (lit.)
Dichte: 0.929 g/mL · 0.929 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.409(lit.)
Flammpunkt: 55 °F · 55 °F
storage temp.: Refrigerator
Löslichkeit: Chloroform (Soluble), Methanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Stabilität: Moisture sensitive
LogP: 0.973 · 0.973 (est)
CAS Datenbank: 126 · 126-39-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Dioxolane, 2-ethyl-2-methyl-(126-39-6)
EPA chemische Informationen: 2 · 2-Ethyl-2-methyl-1,3-dioxolane (126-39-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 Information · 2 Einträge

Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (97.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (93%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29329990
RTECS-Nr.: JH7700000
risk_code: 11-20/21/22-36/37/38-36
Toxizität: rabbit,LD50,skin,10mL/kg (10mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
hazard_code: F,Xn,Xi
safety_code: 16-26-36/37/39-38-39
hazard_class: 3.1
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Dioxolane, 2-ethyl-2-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Ethyl-2-methyl-1,3-dioxolane was employed as reagent in the selective ketalization of 1-oxo functions of 8a-methyl 1,6-dioxo 1,2,3,4,6,7,8,8a-octahydronaphthalene and 7a-methyl 1,5-dioxo 5,6,7,7a-tetrahydroindane. It was also employed in the enantioselective total synthesis of (-)-strychnine.