2-Methyl-1,2-propanediol - CAS 558-43-0
Catalog: |
BB029196 |
Product Name: |
2-Methyl-1,2-propanediol |
CAS: |
558-43-0 |
Synonyms: |
2-methylpropane-1,2-diol; 2-methylpropane-1,2-diol |
IUPAC Name: | 2-methylpropane-1,2-diol |
Description: | 2-Methyl-1,2-propanediol (CAS# 558-43-0) is a compound useful in organic synthesis. |
Molecular Weight: | 90.12 |
Molecular Formula: | C4H10O2 |
Canonical SMILES: | CC(C)(CO)O |
InChI: | InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3 |
InChI Key: | BTVWZWFKMIUSGS-UHFFFAOYSA-N |
Boiling Point: | 176 °C at 760 mmHg |
Density: | 1.005 g/cm3 |
MDL: | MFCD00971926 |
LogP: | -0.25040 |
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 |
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PMID | Publication Date | Title | Journal |
25576605 | 20150301 | Metabolism of 2-methylpropene (isobutylene) by the aerobic bacterium Mycobacterium sp. strain ELW1 | Applied and environmental microbiology |
23810710 | 20130915 | Subchronic exposure to ethyl tertiary butyl ether resulting in genetic damage in Aldh2 knockout mice | Toxicology |
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Complexity: | 40.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 90.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 90.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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