4-Methylideneoxane
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Basic information
- CAS
36838-71-8- Standard SMILES
C=C1CCOCC1- InChIKey
NSELYKZLLNWRED-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 4-Methylideneoxane
- IUPAC
- 4-methylideneoxane
- English name
- 4-Methylenetetrahydro-2H-pyran
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-methylideneoxaneRefChem:525609820-910-94-Methylenetetrahydro-2H-pyran36838-71-84-MethylenetetrahydropyranMFCD099708012H-Pyran, tetrahydro-4-methylene-tetrahydro-4-methylene-2H-Pyran4-methylene-tetrahydro-pyran4-methylene-tetrahydro-2H-pyran4-methylene-tetrahydropyran
Show more names
Tetrahydro-4-methylenepyranMethylenetetrahydro-2H-pyranSCHEMBL139067orb3027237SCHEMBL2278018SCHEMBL2626875SCHEMBL17838114DTXSID60338412
Database identifiers
- CAS
36838-71-8- PubChem CID
- 548975
- DTXSID
DTXSID60338412- EC Number
- 820-910-9
- Nikkaji
- J100.701G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.2
Physicochemical properties
- Boiling point
- 122 ℃ · 122℃
- Density
- 0.89 · 0.89
- Flash point
- 15 ℃ · 15℃
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h1-5H2
- InChIKey
- NSELYKZLLNWRED-UHFFFAOYSA-N
- SMILES
- C1OCCC(=C)C1
- Comptox DTXSID
- 60338412 · DTXSID60338412
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 335 · H335-H319-H225-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H335-H319-H225-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses4-Methylideneoxane is used in preparation of griseofulvin derivatives as central nervous system antiinflammatory agents.
Related reactions
5 records
Compound notes
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