CAS 869-29-4 3,3-Diacetoxypropene (HCID 61226)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 869-29-4
Standard-SMILES: C=CC(OC(C)=O)OC(C)=O
InChIKey: TXECTBGVEUDNSL-UHFFFAOYSA-N
Summenformel: C7H10O4
Durchschnittliche Molmasse: 158,15 g/mol
Monoisotopische Masse: 158,0579088

Namen und Bezeichner

Bevorzugter Name: 3,3-Diacetoxypropene
IUPAC: 1-acetyloxyprop-2-enyl acetate
Lokaler Name: Allylidendi(acetat)
Englischer Name: Allylidene diacetate
Summenformel: C7H10O4
Molmasse: 158.15

Namen und Synonyme

Allylidene diacetate869-29-4Diacetoxypropene3,3-DiacetoxypropeneAllylidene acetateAcrolein diacetateShell 345Shell SD 3451,1-Diacetoxypropene-2SD 345 (ester)2-Propene-1,1-diol, diacetateCaswell No. 706

Weitere Namen anzeigen

diacetoxyshell345shellsd345allylideneacetate

SD-345Allylidene di(acetate)Acrolein, monohydrate, diacetateNSC 7632NSC 450201,1-Diacetoxy-2-propeneEINECS 212-789-05VDZ4FX754

Datenbank-Bezeichner

CAS: 869-29-4
PubChem CID: 61226
DTXSID: DTXSID8041450
UNII: 5VDZ4FX754
EC Number: 212-789-0
Nikkaji: J2.116D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 11
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: -37.6 °C · -37.6°C
Siedepunkt: 180 °C · 180°C (estimate)
Dichte: 1.076 · 1.0760
Brechungsindex: 1.4193 · 1.4193 (estimate)
CAS Datenbank: 869 · 869-29-4(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Propene-1,1-diol diacetate (869-29-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 InformationStatus: Active Update: 04-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24303

Hazard Classes and Categories · 2 Einträge

Acute Tox. 2 (100%)；Skin Corr. 1B (97.4%)；Acute Tox. 3 (100%)

Flammable liquids - Category 4；Acute toxicity (Oral) - Category 2；Acute toxicity (Dermal) - Category 2；Acute toxicity (Inhalation: Vapours) - Category 1