2,2-Diethyl-1,3-propanediol - CAS 115-76-4
Catalog: |
BB003621 |
Product Name: |
2,2-Diethyl-1,3-propanediol |
CAS: |
115-76-4 |
Synonyms: |
2,2-diethylpropane-1,3-diol |
IUPAC Name: | 2,2-diethylpropane-1,3-diol |
Description: | 2,2-Diethyl-1,3-propanediol (CAS# 115-76-4) is a useful research chemical compound. |
Molecular Weight: | 132.20 |
Molecular Formula: | C7H16O2 |
Canonical SMILES: | CCC(CC)(CO)CO |
InChI: | InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3 |
InChI Key: | XRVCFZPJAHWYTB-UHFFFAOYSA-N |
Boiling Point: | 160 °C (50 torr) |
Melting Point: | 59-62 °C |
Purity: | 95 % |
Appearance: | White to slightly yellow crystalline powder |
MDL: | MFCD00004695 |
LogP: | 0.77740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
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Complexity: | 61.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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