Basic information
- CAS
557-31-3- Standard SMILES
C=CCOCC- InChIKey
OJPSFJLSZZTSDF-UHFFFAOYSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Overview
Allyl ethyl ether appears as a liquid. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
Names & identifiers
- Preferred name
- Allyl ethyl ether
- IUPAC
- 3-ethoxyprop-1-ene
- English name
- ALLYL ETHYL ETHER
- Molecular formula
- C5H10O
- Molecular weight
- 86.13
Names & synonyms
ALLYL ETHYL ETHER1-Propene, 3-ethoxy-3-Ethoxy-1-propeneEthyl allyl etherEther, allyl ethyl3-EthoxypropeneEthyl 2-propenyl etherUNII-SM8T658RE3UN2335SM8T658RE3EINECS 209-169-7CH3CH2OCH2CH=CH2
Show more names
ETHOXY-1-PROPENE3-ethoxy-1-propen3-ethoxyprop-1-eneEthyl2-propenylether
AI3-24223ALLYL ETHYL ETHER [MI]DTXSID4060319UN 2335UN-23353Ethoxy1propene1Propene, 3ethoxyEthyl 2propenyl ether
Database identifiers
- CAS
557-31-3- PubChem CID
- 11191
- DTXSID
DTXSID4060319- UNII
- SM8T658RE3
- EC Number
- 209-169-7
- Nikkaji
- J61.531E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32.9
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Flash Pointless than -19 °F (NFPA, 2010)
Vapor Pressure153.0 [mmHg]
Physical Description
Allyl ethyl ether appears as a liquid. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
Liquid; [Merck Index]
Physicochemical properties
- Melting point
- -140 °C · -140°C (estimate)
- Boiling point
- 65 · 65-66 °C(lit.)
- Density
- 0.76 g/mL · 0.76 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.388(lit.)
- Flash point
- 5 °F · −5 °F
- storage temp.
- Refrigerator
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.76 · 0.7600
- Water Solubility
- Soluble in organic solvents, miscible with ethanol, diethyl ether. Insoluble in water.
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,293
- BRN
- 1361480 · 1361480
- InChI
- 1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
- InChIKey
- OJPSFJLSZZTSDF-UHFFFAOYSA-N
- SMILES
- CCOCC=C
- CAS DataBase Reference
- 557 · 557-31-3(CAS DataBase Reference)
- FDA UNII
- 8 T658RE3 · SM8T658RE3
- EPA Substance Registry System
- 1 · 1-Propene, 3-ethoxy- (557-31-3)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-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+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi,T
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26
- RIDADR
- 2335 · UN 2335
- WGK Germany
- 3 · 3
- RTECS
- 9120000 · KM9120000
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HS Code
- 2909.19 · 2909.19.1800
- HazardClass
- 3 · 3
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThe 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
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
May cause skin, eye, and mucous membrane irritation; Toxic; [Merck Index] Readily oxidized by air forming unstable peroxides that may spontaneously explode; [CAMEO] May form explosive peroxides; An irritant; Toxic by ingestion and inhalation; [Alfa Aesar MSDS]
DOT ID and Guide2335 131
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity ProfileALLYL ETHYL ETHER may react violently with strong oxidizing agents. Can act as as a base to form salts with strong acids and addition complexes with Lewis acids.
DOT Hazard Classification
Allyl ethyl ether
UN2335
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
Air and Water ReactionsHighly flammable. Oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick 1979. p.151-154, 164]. Insoluble in water and less dense than water.
Peroxide Forming Chemical
Allyl ethyl ether
D: Other compounds that may form peroxides
Moderate peroxides found in new commerically available containers
Kelly
An explosion occured during distillation. See Bretherick's.
Anon., ABCM Quart. Safety Summ., 1963, 34, 7
Safety & protection
Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
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]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Isolation and Evacuation
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
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.
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KM9120000
- ridadr
- UN 2335
- hs_code
- 2909.19.1800
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F,Xi,T
- safety_code
- 16-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H315-H319-H336-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye 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+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information1-Propene, 3-ethoxy-: ACTIVE
Applications
UsesAllyl ethyl ether is used as an intermediate to manufacture other chemicals.
General DescriptionA liquid. Flash point below 75°F. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
Upstream & downstream products
Downstream products
Suppliers41 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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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025-66061636 19370895928 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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