2-Methoxypropene
Basic information
- CAS
116-11-0- Standard SMILES
C=C(C)OC- InChIKey
YOWQWFMSQCOSBA-UHFFFAOYSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751487
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Methoxypropene
- IUPAC
- 2-methoxyprop-1-ene
- English name
- 2-Methoxypropene
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
2-Methoxypropene116-11-02-METHOXYPROP-1-ENE1-Propene, 2-methoxy-Isopropenyl methyl etherMethyl isopropenyl etherEther, isopropenyl methylPropene, 2-methoxy-15WBG0JT6BDTXSID3051591RefChem:474670DTXCID7030143
Show more names
MOP2-Methoxyproene2-METHYOXYPROPENECH2=C(CH3)OCH3CH3C(OCH3):CH22-Methoxyprope
204-125-32-Methoxy-1-propeneMFCD00014929HSDB 1124EINECS 204-125-3UNII-15WBG0JT6BBRN 17346352-methoxypropen
Database identifiers
- CAS
116-11-0- PubChem CID
- 8300
- DTXSID
DTXSID3051591- UNII
- 15WBG0JT6B
- EC Number
- 204-125-3
- Nikkaji
- J27.121G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 38.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure517.0 [mmHg]
Physical DescriptionLiquid; bp = 34-36 deg C; [MSDSonline]
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 34 · 34-36 °C (lit.)
- Density
- 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
- vapor pressure
- 27.96 psi · 27.96 psi ( 55 °C)
- refractive index
- 20 · n20/D 1.382(lit.)
- Flash point
- 21 °F · −21 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform
- form
- Liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Isopropenyl methyl ether (EC: 204-125-3)
1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay form explosive peroxides; An irritant; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 1 (100%)
Toxicology
Toxicity DataLCLo (rat) = 64,000 ppm/4h
Safety data
- F
- 8-10
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD0800000
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29091990
Chemistry & industry
Uses & manufacturing
Uses
Used as a laboratory reagent and an intermediate for 2-methoxyallyl bromide (an alkylating agent); [HSDB]
LABORATORY REAGENT (HYDROXYL-PROTECTING); CHEM INT FOR 2-METHOXYALLYL BROMIDE (AN ALKYLATING AGENT)
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingPROBABLY BY REACTION OF ACETONE AND METHANOL, FOLLOWED BY DEHYDRATION WITH SULFURIC ACID
General Manufacturing Information1-Propene, 2-methoxy-: ACTIVE
Applications
Uses2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.
Preparation methods
Preparation2-Methoxypropene is prepared in high yield from Succinic Anhydride, 2,2-Dimethoxypropane, benzoic acid, and Pyridine.
Upstream & downstream products
Upstream raw materials
Related reactions
155 records
Compound notes
Loading…