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3,3'-Oxybis-1-propen

Diallyl ether

HCID 11194
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Grundinformationen

CAS
557-40-4
Standard-SMILES
C=CCOCC=C
InChIKey
ATVJXMYDOSMEPO-UHFFFAOYSA-N
Summenformel
C6H10O
Durchschnittliche Molmasse
98,14 g/mol
Monoisotopische Masse
98,07316494

Überblick

Diallyl ether appears as a liquid with an odor of radishes. Less dense than water. May be toxic by ingestion, skin absorption, and inhalation, and may irritate skin and eyes. Vapors heavier than air. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
Diallyl ether
IUPAC
3-prop-2-enoxyprop-1-ene
Lokaler Name
3,3'-Oxybis-1-propen
Englischer Name
Allyl ether
Summenformel
C6H10O
Molmasse
98.14

Namen und Synonyme

ALLYL ETHERDiallyl etherAllyletherEther, diallyl1-Propene, 3,3'-oxybis-Ether, propenylUNII-GI3WXY29NQGI3WXY29NQNSC 7619EINECS 209-174-4BRN 1736015AI3-02894
Weitere Namen anzeigen
Allylic EtherAllylethersether,diallylpropenyletherether,propenylAllyl ether 98%Allyl ether,99%
Allyl ether (8CI)NSC-7619ALLYL ETHER [MI]4-01-00-02086 (Beilstein Handbook Reference)3,3'-oxybis(prop-1-ene)(CH2=CHCH2)2ODTXSID8060321UN 2360

Datenbank-Bezeichner

CAS
557-40-4
PubChem CID
11194
DTXSID
DTXSID8060321
UNII
GI3WXY29NQ
EC Number
209-174-4
Nikkaji
J6.485H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
9,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
7
Formalladung
0
Komplexität
49,2

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesDensity
LogP0.7 (calculated)
DensityRelative density (water = 1): 0.8
SolubilitySolubility in water: none
Flash Point · 2 Einträge

20 °F (NFPA, 2010)

-6 °C

Boiling Point94 °C
Melting Point-6 °C
Vapor DensityRelative vapor density (air = 1): 3.4
Vapor PressureVapor pressure, kPa at 20 °C: 5.79
Physical Description · 2 Einträge

Diallyl ether appears as a liquid with an odor of radishes. Less dense than water. May be toxic by ingestion, skin absorption, and inhalation, and may irritate skin and eyes. Vapors heavier than air. Used to make other chemicals.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Propene, 3,3'-oxybis-

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 Poison
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with acids or oxidizing agents.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.

DOT ID and Guide2360 131P
Reactive GroupEthers

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propene, 3,3'-oxybis-: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

[[o-(Allyloxy)phenoxy]methyl]oxiranEugenolNedocromil1-(Allyloxy)butanAllylbenzoat

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COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Physikochemische Eigenschaften

Schmelzpunkt
-6 °C · -6°C
Siedepunkt
94 °C · 94 °C
Dichte
0.803 g/mL · 0.803 g/mL at 25 °C(lit.)
Brechungsindex
1.415 · 1.415-1.417
Flammpunkt
-7 °C · -7 °C
storage temp.
Refrigerator (+4°C) + Flammables area
Löslichkeit
0.3 % · Chloroform, Methanol (Slightly), 0.3% soluble in water, miscible with alcohol and oils.
Aggregatzustand
clear liquid
Farbe
Colorless to Almost colorless
Geruch (Odor)
Pungent odor, reminiscent of Radish
Wasserlöslichkeit
insoluble
Merck
14 · 14,292
InChI
1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKey
ATVJXMYDOSMEPO-UHFFFAOYSA-N
SMILES
C=CCOCC=C
CAS Datenbank
557 · 557-40-4(CAS DataBase Reference)
NIST chemische Informationen
2 · (CH2=CHCH2)2O(557-40-4)
EPA chemische Informationen
1 · 1-Propene, 3,3'-oxybis- (557-40-4)
UN ClassificationUN Hazard Class: 3; UN Subsidiary Risks: 6.1; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

Ethers, such as DIALLYL ETHER 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.

Chemical DangersThe substance can form explosive peroxides. Reacts violently with acids and oxidants. This generates fire and explosion hazard.
Physical DangersThe vapour is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.
DOT Hazard Classification · 5 Einträge

Diallylether

UN2360

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· 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 · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

General First Aid:

Safe StorageFireproof. Separated from acids and oxidants. See Chemical Dangers. Store only if stabilized. Cool. Keep in the dark.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:
Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire Prevention · 1 Eintrag

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. Use non-sparking handtools. Prevent build-up of electrostatic charges (e.g., by grounding).

Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 Einträge

Cough. Drowsiness. Unconsciousness.

Dry skin. Redness. Pain.

Redness. Pain.

Dullness. Nausea. Drowsiness. Unconsciousness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2360
hs_code
2909.19.1800
RTECS-Nr.
KN7525000
risk_code
36/37/38-20/21/22-11
Toxizität
LD50 orally in rats: 0.32 g/kg (Smyth)
hazard_code
Xn-F,Xn,F
safety_code
9-36/37/39-33-26-16-45
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3