Basic information
- CAS
44611-46-3- Standard SMILES
C=CCCOCC- InChIKey
DKQFBUMLBKKLLP-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 4-Ethoxybut-1-ene
- IUPAC
- 4-ethoxybut-1-ene
Names & synonyms
4-ethoxybut-1-ene44611-46-3RefChem:522673869-309-31-Butene, 4-ethoxy-3-Butenyl ethyl ether3-Butenyl ethyl ether #SCHEMBL295132SCHEMBL995931SCHEMBL1017723SCHEMBL4596261SCHEMBL4948321
Show more names
SCHEMBL5958324SCHEMBL8517727SCHEMBL27583991DKQFBUMLBKKLLP-UHFFFAOYSA-NEN300-160020
Database identifiers
- CAS
44611-46-3- PubChem CID
- 533994
- EC Number
- 869-309-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.4
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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