Basic information
- CAS
627-40-7- Standard SMILES
C=CCOC- InChIKey
FASUFOTUSHAIHG-UHFFFAOYSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751488
Names & identifiers
- Preferred name
- 1-Propene, 3-methoxy-
- IUPAC
- 3-methoxyprop-1-ene
- English name
- Allyl methyl ether
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
Allyl methyl ether627-40-71-Propene, 3-methoxy-3-MethoxypropeneEINECS 210-997-6DTXSID7060839RefChem:436413DTXCID8043498210-997-63-methoxyprop-1-ene3-Methoxy-1-propeneMethyl allyl ether
Show more names
CH2=CHCH2OCH33-Methoxy-propeneAllyl methy ether3-methoxy-1-propen
Ether, allyl methylMFCD00008649allylmethyletherallylmethyl ether4-Oxapent-1-ene1-Methoxy-2-propeneMETHYLALLYL ETHERmethyl-2-propenyl ether
Database identifiers
- CAS
627-40-7- PubChem CID
- 69392
- DTXSID
DTXSID7060839- EC Number
- 210-997-6
- Nikkaji
- J27.122E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 24.8
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -115.8 °C · -115.8°C (estimate)
- Boiling point
- 42 · 42-43 °C/760 mmHg
- Density
- 0.768 g/mL · 0.768 g/mL at 25 °C
- refractive index
- 1.3803 · 1.3803
- Flash point
- -23 °C · -23°C
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Insoluble in water
- form
- Liquid
- Specific Gravity
- 0.77 · 0.77
- color
- Colorless to Light yellow
- InChI
- 1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
- InChIKey
- FASUFOTUSHAIHG-UHFFFAOYSA-N
- SMILES
- COCC=C
- CAS DataBase Reference
- 627 · 627-40-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Propene, 3-methoxy-(627-40-7)
- EPA Substance Registry System
- 1 · 1-Propene, 3-methoxy- (627-40-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H319
- Precautionary statements
- 210 · P210-P301+P312+P330-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F+,Xn,F
- Risk Statements
- 11 · 11-19-36-22-12
- Safety Statements
- 3 · 3/7-9-16-36/37/39-26
- RIDADR
- 3271 · 3271
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29161900 · 29161900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3271
- hs_code
- 29161900
- risk_code
- 11-19-36-22-12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F+,Xn,F
- safety_code
- 3/7-9-16-36/37/39-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P301+P312+P330-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propene, 3-methoxy-: ACTIVE
Applications
UsesAllyl methyl ether it used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
8 records
Compound notes
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