1,2-Butanediol - CAS 584-03-2
Catalog: |
BB030028 |
Product Name: |
1,2-Butanediol |
CAS: |
584-03-2 |
Synonyms: |
(±)-Butane-1,2-diol; 1,2-Butylene glycol; 1,2-Dihydroxybutane; DL-1,2-Butanediol; NSC 24242 |
Related CAS: | 26171-83-5 (Deleted CAS)
|
IUPAC Name: | butane-1,2-diol |
Description: | 1,2-Butanediol (CAS# 584-03-2) is a glycol in human serum. |
Molecular Weight: | 90.12 |
Molecular Formula: | C4H10O2 |
Canonical SMILES: | CCC(CO)O |
InChI: | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
InChI Key: | BMRWNKZVCUKKSR-UHFFFAOYSA-N |
Boiling Point: | 195-196.9°C |
Melting Point: | -50°C |
Flash Point: | 90 °C |
Purity: | ≥95% |
Density: | 1.0023 g/cm3 |
Solubility: | sol in water, Alcohol & acetone /l-form/ |
Appearance: | Colorless to Light yellow Clear Liquid |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
LogP: | -0.25040 |
Vapor Pressure: | 0.05 [mmHg] |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
WO-2018216822-A1 | Novel imidazole derivatives | 20170525 |
US-2020040351-A1 | Enhanced lipid biosynthesis via engineered plastid lipases | 20170331 |
WO-2018183734-A1 | Enhanced lipid biosynthesis via engineered plastid lipases | 20170331 |
CA-2969709-A1 | 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors | 20141205 |
PMID | Publication Date | Title | Journal |
22126977 | 20120701 | Efficient conversion of 1,2-butanediol to (R)-2-hydroxybutyric acid using whole cells of Gluconobacter oxydans | Bioresource technology |
22719538 | 20120601 | Quetiapine N-oxide-fumaric acid (2/1) | Acta crystallographica. Section E, Structure reports online |
22154560 | 20120101 | Conjugation of a 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole intercalator to a triplex oligonucleotide and to a three-way junction | Bioorganic & medicinal chemistry |
21585401 | 20111001 | The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols | International journal of cosmetic science |
21720824 | 20110801 | Post-mortem volatiles of vertebrate tissue | Applied microbiology and biotechnology |
Complexity: | 28.7 |
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: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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