Ethyl Hydrogen Glutarate - CAS 1070-62-8
Catalog: |
BB001962 |
Product Name: |
Ethyl Hydrogen Glutarate |
CAS: |
1070-62-8 |
Synonyms: |
5-ethoxy-5-oxopentanoic acid; 5-ethoxy-5-oxopentanoic acid |
IUPAC Name: | 5-ethoxy-5-oxopentanoic acid |
Description: | Ethyl Hydrogen Glutarate (CAS# 1070-62-8) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CCOC(=O)CCCC(=O)O |
InChI: | InChI=1S/C7H12O4/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3,(H,8,9) |
InChI Key: | MYMNBFURSYZQBR-UHFFFAOYSA-N |
Boiling Point: | 280 °C |
Density: | 1.11 g/cm3 |
Appearance: | Colorless clear liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00014379 |
LogP: | 0.80440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
EP-3838882-A1 | 2,4-diethylocta-2,6-dienal and its use as aroma chemical | 20191218 |
WO-2021122674-A1 | 2,4-diethylocta-2,6-dienal and its use as aroma chemical | 20191218 |
EP-3838895-A1 | Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals | 20191216 |
WO-2021122558-A1 | Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals | 20191216 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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