Grundinformationen
- Standard-SMILES
C=CC(OCC)OCC- InChIKey
MCIPQLOKVXSHTD-UHFFFAOYSA-N- Summenformel
- C7H14O2
- Durchschnittliche Molmasse
- 130,18 g/mol
- Monoisotopische Masse
- 130,09937969
Überblick
3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.
Namen und Bezeichner
- Bevorzugter Name
- 3,3-Diethoxy-1-propene
- IUPAC
- 3,3-diethoxyprop-1-ene
- Lokaler Name
- 3,3-Diethoxypropen
- Englischer Name
- Acrolein diethyl acetal
- Summenformel
- C7H14O2
- Molmasse
- 130.18
Namen und Synonyme
Acrolein diethyl acetal3054-95-3Acrolein diethylacetalAcrolein acetal3,3-Diethoxy-1-propene1,1-Diethoxy-2-propeneAcrolein, diethyl acetal3,3-DiethoxypropenePropenal diethyl acetalAcrylaldehyde diethyl acetalAcrolein, diethylacetalDTXSID0020024
Weitere Namen anzeigen
3,3-DIETHOXYPROP-1-ENE1-Propene, 3,3-diethoxy-3 3-DIETHOXYPROPENEAVAC-013ein DiethyLACROLEIN DEAAvacopan Impurity 6ACROLEINDITHYLACETAL
NSC-60135DTXCID002433XN703369PROPENE, 3,3-DIETHOXY-diethoxypropeneAcrylylaldehyde diethyl acetalRefChem:109416221-276-0
Datenbank-Bezeichner
- CAS
3054-95-3- PubChem CID
- 62477
- DTXSID
DTXSID0020024- ChEMBL
CHEMBL3182978- UNII
- 33XN703369
- EC Number
- 221-276-0
- Nikkaji
- J83.950G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 65,3
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Acetals
Flammable agents - 3rd degree
SpringerMaterials PropertiesOptical coefficient
Physical Description
3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.
Colorless liquid with a pleasant odor; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 · 120-124 °C
- Siedepunkt
- 125 °C · 125 °C (lit.)
- Dichte
- 0.854 g/mL · 0.854 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.398(lit.)
- Flammpunkt
- 40 °F · 40 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Soluble), Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 1701567 · 1701567
- Stabilität
- Light sensitive
- InChI
- 1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
- InChIKey
- MCIPQLOKVXSHTD-UHFFFAOYSA-N
- SMILES
- CCOC(OCC)C=C
- LogP
- 1.56 · 1.560
- CAS Datenbank
- 3054 · 3054-95-3(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Propene, 3,3-diethoxy-(3054-95-3)
- EPA chemische Informationen
- 1 · 1-Propene, 3,3-diethoxy- (3054-95-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
1-Propene, 3,3-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards SummaryMay form unstable peroxides on exposure to air; [CAMEO] A strong eye irritant; [Alfa Aesar MSDS]
DOT ID and Guide2374 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
Ethers, such as 3,3-DIETHOXYPROPENE, can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
DOT Hazard Classification
3,3-Diethoxypropene
UN2374
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Soluble in water. Likely to slowly form peroxidized product when exposed to air. The formed peroxide is likely to be unstable.
Peroxide Forming Chemical
3,3-Diethoxypropene
D*: Other compounds that may form peroxides
Bretherick's
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Sicherheitsdaten
- F
- 8-13
- wgk
- 3
- ridadr
- UN 2374
- hs_code
- 29110000
- RTECS-Nr.
- AS1370000
- risk_code
- 11-36
- hazard_code
- F,Xi
- safety_code
- 9-16-26-33-29-7/9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a solvent and to make cosmetics; [CAMEO]
Anwendungen
VerwendenAcrolein diethyl acetal is a reagent used for the synthesis of a variety of compounds, including cinnamaldehydes.
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