3,4-Epoxybutanol - CAS 19098-31-8
Catalog: |
BB066217 |
Product Name: |
3,4-Epoxybutanol |
CAS: |
19098-31-8 |
Synonyms: |
2-Oxiraneethanol; Oxiraneethanol; (2-Hydroxyethyl)oxirane; 3,4-Epoxy-1-butanol; 4-Hydroxy-1,2-epoxybutane |
IUPAC Name: | 2-(oxiran-2-yl)ethanol |
Description: | 3,4-Epoxybutanol is a substituted epoxy alcohol that may allow for substrate-controlled conversion of CO2 into a wide range of heterocyclic structures. |
Molecular Weight: | 88.11 |
Molecular Formula: | C4H8O2 |
Canonical SMILES: | C1C(O1)CCO |
InChI: | InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2 |
InChI Key: | AVSUMWIDHQEMPD-UHFFFAOYSA-N |
Melting Point: | No data available |
Solubility: | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Ethyl Acetat |
Appearance: | Colourless Oil |
Storage: | 4°C, Hygroscopic |
References: | Rintjema, J., et al. Angew. Chem. Int. Ed., 55, 3972-3976 (2016). |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 44.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 88.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 88.052429494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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