3,3-Diethoxypropin

3,3-Diethoxypropyne

HCID 66285CAS 10160-87-9

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Grundinformationen

Standard-SMILES: C#CC(OCC)OCC
InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N
Summenformel: C7H12O2
Durchschnittliche Molmasse: 128,17 g/mol
Monoisotopische Masse: 128,08372962

Namen und Bezeichner

Bevorzugter Name: 3,3-Diethoxypropyne
IUPAC: 3,3-diethoxyprop-1-yne
Lokaler Name: 3,3-Diethoxypropin
Englischer Name: Propargylaldehyde diethyl acetal
Summenformel: C7H12O2
Molmasse: 128.17

Namen und Synonyme

3,3-DiethoxypropyneEINECS 233-430-4DTXSID60144050NSC 45019RefChem:485249DTXCID4066541233-430-410160-87-93,3-diethoxyprop-1-yne3,3-Diethoxy-1-propynePropargylaldehyde diethyl acetal1-Propyne, 3,3-diethoxy-

Weitere Namen anzeigen

3,3-dimethoxyprop-1-yne3,3-Diethoxy-1-propyne~Propargylaldehyde diethyl acetal(C2H5O)2CHC≡CH

Propiolaldehyde diethyl acetalPROPYNAL DIETHYL ACETAL3,3-diethoxy-propyneMFCD0000923736678-60-11,1-diethoxyprop-2-yneNSC-45019NSC45019

Datenbank-Bezeichner

CAS: 10160-87-9
PubChem CID: 66285
DTXSID: DTXSID60144050
UNII: 9WJT2CB9DS
EC Number: 233-430-4
Nikkaji: J227.079J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Siedepunkt: 138 · 138-139.5 °C(lit.)
Dichte: 0.894 g/mL · 0.894 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.412(lit.)
Flammpunkt: 90 °F · 90 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 0.894 · 0.894
Farbe: Clear light yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 1701566 · 1701566
Stabilität: Light Sensitive, Volatile
InChI: InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey: RGUXEWWHSQGVRZ-UHFFFAOYSA-N
SMILES: C#CC(OCC)OCC
CAS Datenbank: 10160 · 10160-87-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): 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, 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 51 reports by companies from 9 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

Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Sicherheitsdaten

F: 21
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29110000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenPropargylaldehyde diethyl acetal is a useful reactant for the synthesis of alkenylsilanes via radical stereoselective hydrosilylation of alkynes with the help of Eosin Y and thiols as catalysts.