1,2,3-Butanetriol - CAS 4435-50-1
Catalog: |
BB025572 |
Product Name: |
1,2,3-Butanetriol |
CAS: |
4435-50-1 |
Synonyms: |
butane-1,2,3-triol |
IUPAC Name: | butane-1,2,3-triol |
Description: | 1,2,3-Butanetriol (CAS# 4435-50-1) is a useful research chemical. |
Molecular Weight: | 106.12 |
Molecular Formula: | C4H10O3 |
Canonical SMILES: | CC(C(CO)O)O |
InChI: | InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3 |
InChI Key: | YAXKTBLXMTYWDQ-UHFFFAOYSA-N |
Boiling Point: | 175 °C / 27 mmHg |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
LogP: | -1.27960 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015367667-A1 | Processing fluid, image forming method, recorded matter, and inkjet recording device | 20140619 |
WO-2015193497-A1 | Multi-phase anhydrous composition comprising at least one oil, at least one polyol and non ionic surfactants, and cosmetic process thereof | 20140619 |
WO-2015181220-A1 | Fixative composition for cell-comprising liquid samples | 20140528 |
EP-2947126-A1 | Conductive polymer composite and substrate | 20140520 |
US-2015340118-A1 | Conductive polymer composite and substrate | 20140520 |
PMID | Publication Date | Title | Journal |
17355152 | 20070401 | Site specific N6-(2-hydroxy-3,4-epoxybut-1-yl)adenine oligodeoxynucleotide adducts of 1,2,3,4-diepoxybutane: synthesis and stability at physiological pH | Chemical research in toxicology |
16106353 | 20050101 | Characterization of adducts formed between human serum albumin and the butadiene metabolite epoxybutanediol | Rapid communications in mass spectrometry : RCM |
15454314 | 20041115 | The 'buttery' attribute of wine--diacetyl--desirability, spoilage and beyond | International journal of food microbiology |
Complexity: | 46.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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