Basic information
- Standard SMILES
C=CCOCC=C- InChIKey
ATVJXMYDOSMEPO-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Overview
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.
Names & identifiers
- Preferred name
- Diallyl ether
- IUPAC
- 3-prop-2-enoxyprop-1-ene
- English name
- Allyl ether
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
Show more names
Database identifiers
- CAS
557-40-4- PubChem CID
- 11194
- DTXSID
DTXSID8060321- UNII
- GI3WXY29NQ
- EC Number
- 209-174-4
- Nikkaji
- J6.485H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49.2
Experimental & physicochemical properties
Flash Point
20 °F (NFPA, 2010)
-6 °C
Physical Description
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.
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Physicochemical properties
- Melting point
- -6 °C · -6°C
- Boiling point
- 94 °C · 94 °C
- Density
- 0.803 g/mL · 0.803 g/mL at 25 °C(lit.)
- refractive index
- 1.415 · 1.415-1.417
- Flash point
- -7 °C · -7 °C
- storage temp.
- Refrigerator (+4°C) + Flammables area
- solubility
- 0.3 % · Chloroform, Methanol (Slightly), 0.3% soluble in water, miscible with alcohol and oils.
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- Pungent odor, reminiscent of Radish
- Water Solubility
- 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 DataBase Reference
- 557 · 557-40-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 WXY29NQ · GI3WXY29NQ
- NIST Chemistry Reference
- 2 · (CH2=CHCH2)2O(557-40-4)
- EPA Substance Registry System
- 1 · 1-Propene, 3,3'-oxybis- (557-40-4)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H302-H315-H319-H336-H225
- Precautionary statements
- 501 · P501-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn-F,Xn,F
- Risk Statements
- 36 · 36/37/38-20/21/22-11
- Safety Statements
- 9 · 9-36/37/39-33-26-16-45
- RIDADR
- 2360 · UN 2360
- WGK Germany
- 3 · 3
- RTECS
- 7525000 · KN7525000
- TSCA
- TSCA listed
- HS Code
- 2909.19 · 2909.19.1800
- HazardClass
- 3 · 3
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in rats: 0.32 g/kg (Smyth)
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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.)
Fire Hazards
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
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Reactivity Profile
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.
DOT Hazard Classification
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
Safety & protection
Fire Fighting
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
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
· 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 131 [Flammable Liquids - Toxic; polymerization hazard]:
General First Aid:
Spillage Disposal
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
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic; polymerization hazard]:
Immediate precautionary measure
Fire Prevention
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).
Toxicology
Signs and Symptoms
Cough. Drowsiness. Unconsciousness.
Dry skin. Redness. Pain.
Redness. Pain.
Dullness. Nausea. Drowsiness. Unconsciousness.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KN7525000
- ridadr
- UN 2360
- hs_code
- 2909.19.1800
- Toxicity
- LD50 orally in rats: 0.32 g/kg (Smyth)
- risk_code
- 36/37/38-20/21/22-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xn-F,Xn,F
- safety_code
- 9-36/37/39-33-26-16-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H311-H302-H315-H319-H336-H225
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
Applications
UsesAllyl Ether is a modifier used in the manufacture of foamable polystyrene.
General DescriptionA liquid with an odor of radishes. Less dense than water. Flash point 20°F. May be toxic by ingestion, skin absorption, and inhalation, and may irritate skin and eyes. Vapors heavier than air. Used to make other chemicals.
Upstream & downstream products
Downstream products
Suppliers38 total
Related reactions
Linked notes
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