2-Methoxy-1,3-butadiene
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Basic information
- CAS
3588-30-5- Standard SMILES
C=CC(=C)OC- InChIKey
LYGKSUOGJYYSOI-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751488
Names & identifiers
- Preferred name
- 2-Methoxy-1,3-butadiene
- IUPAC
- 2-methoxybuta-1,3-diene
- English name
- 2-methoxy-1,3-butadiene
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
2-Methoxy-1,3-butadiene3588-30-51,3-Butadiene, 2-methoxy-METHOXYPRENENSC-216077TZ8324YIF4DTXSID70189437RefChem:87793DTXCID001119282-methoxybuta-1,3-diene2-methoxybutadieneNSC216077
Show more names
2-Methoxybutane-1,3-diene
NSC 2160772-methoxy-buta-1,3-dieneUNII-TZ8324YIF4SCHEMBL303862SCHEMBL5673957LYGKSUOGJYYSOI-UHFFFAOYSA-NETHER, METHYL 1-METHYLENEALLYL
Database identifiers
- CAS
3588-30-5- PubChem CID
- 99338
- DTXSID
DTXSID70189437- UNII
- TZ8324YIF4
- Nikkaji
- J264.007D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 64.3
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 75 °C · 75°C (estimate)
- Density
- 0.8272 · 0.8272
- refractive index
- 1.4442 · 1.4442
- FDA UNII
- 8324 YIF4 · TZ8324YIF4
- Comptox DTXSID
- 70189437 · DTXSID70189437
- HS Code
- 2909199090 · 2909199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909199090
Related reactions
14 records
Compound notes
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