Diallyl ether

HCID 11194CAS 557-40-4

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

ALLYL ETHERDiallyl etherAllyletherEther, diallyl1-Propene, 3,3'-oxybis-Ether, propenylUNII-GI3WXY29NQGI3WXY29NQNSC 7619EINECS 209-174-4BRN 1736015AI3-02894
Show more names
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

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

Experimental & physicochemical properties

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

20 °F (NFPA, 2010)

-6 °C

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

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 items

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 items

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

Safety & protection

Fire Fighting · 2 items

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 items

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 items

· 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 items

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).

Toxicology

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

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.

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

Chemistry & industry

Uses & manufacturing

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

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.

Suppliers38 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Related reactions

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