3-Propoxy-1-propene
Properties
- Molecular formula
- C6H12O
- Molar mass
- 100.16 g/mol
- Exact mass
- 100.0888 Da
- Density
- 0.767 g/mL (at 20 °C)
- Boiling point
- 91 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
1471-03-0SMILES
C=CCOCCCInChIKey
LWJHSQQHGRQCKO-UHFFFAOYSA-NInChI
InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-Propene, 3-propoxy-
- Ether, allyl propyl
- Allyl propyl ether
- Propyl allyl ether
- NSC 158160
- Allyl n-propyl ether
- 1-Prop-2-enoxypropane
- 3-Propoxy-1-propen
Work with 3-Propoxy-1-propene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Ethoxy-1-propene557-31-357 % similar
Allyl ether557-40-455 % similar
Ethylene glycol monoallyl ether111-45-552 % similar
Polyethylene glycol monoallyl ether27274-31-352 % similar
Di-n-propyl ether111-43-350 % similar
Allyl glycidyl ether106-92-344 % similar
Propyl vinyl ether764-47-644 % similar
Pentene109-67-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.