Basic information
- Standard SMILES
C=C(C)OC- InChIKey
YOWQWFMSQCOSBA-UHFFFAOYSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751487
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
Experimental & physicochemical properties
Vapor Pressure517.0 [mmHg]
Physical DescriptionLiquid; bp = 34-36 deg C; [MSDSonline]
Kovats Retention Index482；483
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
- color
- Clear colorless
- PH
- 7 · 7 (H2O)
- Water Solubility
- negligible
- Sensitive
- Light Sensitive
- BRN
- 1734635 · 1734635
- InChI
- 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
- InChIKey
- YOWQWFMSQCOSBA-UHFFFAOYSA-N
- SMILES
- COC(C)=C
- LogP
- 1.7 at · 1.7 at 21℃ and pH8.1-8.4
- CAS DataBase Reference
- 116 · 116-11-0(CAS DataBase Reference)
- FDA UNII
- 15 WBG0JT6B · 15WBG0JT6B
- NIST Chemistry Reference
- 1 · 1-Propene, 2-methoxy-(116-11-0)
- EPA Substance Registry System
- 1 · 1-Propene, 2-methoxy- (116-11-0)
- UNSPSC Code
- 12352112 · 12352112
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 224 · H224-H302
- Precautionary statements
- 210 · P210-P233-P240-P241-P301+P312-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F+,Xn,F
- Risk Statements
- 12 · 12-19-22-11
- Safety Statements
- 3 · 3-16-29-33-7/9-9-18
- RIDADR
- 1993 · UN 1993 3/PG 1
- WGK Germany
- 1 · 1
- RTECS
- 800000 · UD0800000
- F
- 8 · 8-10
- Autoignition Temperature
- 374 °F · 374 °F
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- I
- HS Code
- 29091990 · 29091990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 1
- Hazardous Substances Data
- 116 · 116-11-0(Hazardous Substances Data)
- Toxicity
- 50 · rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- REACH Registrations
- Active
- Limited Quantities
- 0.5 L · 0.5 L (0.1 gallon)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (300g or 300ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997
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%)；Acute Tox. 4 (100%)；Aquatic Chronic 3 (22.1%)
Toxicology
Toxicity DataLCLo (rat) = 64,000 ppm/4h
Regulatory information
Regulatory Information
Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997
1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
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
- Toxicity
- rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- risk_code
- 12-19-22-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F+,Xn,F
- safety_code
- 3-16-29-33-7/9-9-18
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- I
- Hazard statements
- H224-H302
- Limited Quantities
- 0.5 L (0.1 gallon)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (300g or 300ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 1
- Autoignition Temperature
- 374 °F
- Precautionary statements
- P210-P233-P240-P241-P301+P312-P403+P235
- Hazardous Substances Data
- 116-11-0(Hazardous Substances Data)
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
Downstream products
Suppliers50 total
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Related reactions
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