1,2-Pentanediol - CAS 5343-92-0
Catalog: |
BB028214 |
Product Name: |
1,2-Pentanediol |
CAS: |
5343-92-0 |
Synonyms: |
pentane-1,2-diol; pentane-1,2-diol |
Application: |
This product is suitable for scientific research. |
IUPAC Name: | pentane-1,2-diol |
Description: | 1,2-Pentanediol (CAS# 5343-92-0) is used in synthesizing quinoxalines from biomass-derived glycols. Also used in the synthesis of propiconazole (P770100) a fungicide as well as other antifungals. |
Molecular Weight: | 104.15 |
Molecular Formula: | C5H12O2 |
Canonical SMILES: | CCCC(CO)O |
InChI: | InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3 |
InChI Key: | WCVRQHFDJLLWFE-UHFFFAOYSA-N |
Boiling Point: | 206 °C (lit.) |
Flash Point: | 221.0 °CF - closed cup |
Purity: | 96 % |
Density: | 0.971 g/mL at 25 °C (lit.) |
Appearance: | Liquid |
MDL: | MFCD00010736 |
LogP: | 0.13970 |
Quality Standard: | 100 |
Refractive Index: | n20/D 1.439 (lit.) |
GHS Hazard Statement: | H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] |
Precautionary Statement: | P264, P280, P301+P310, P305+P351+P338, P310, P331, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
FR-3098111-A1 | CONCENTRATED COSMETIC FORMULATION BASE | 20200707 |
WO-2021208962-A1 | Coating composition, use and methods for making a substrate frost resistant | 20200415 |
WO-2021204634-A1 | Topical pharmaceutical composition in the form of an aqueous gel comprising at least amitriptyline | 20200406 |
WO-2021198525-A1 | (s,z)-3,7-dimethylnon-6-en-1-ol and its use as fragrance | 20200402 |
US-11007134-B1 | Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof | 20200331 |
PMID | Publication Date | Title | Journal |
23064773 | 20120901 | Safety assessment of 1,2-glycols as used in cosmetics | International journal of toxicology |
22296970 | 20120515 | Binary VOCs absorption in a rotating packed bed with blade packings | Journal of environmental management |
22440262 | 20120507 | In vitro and in vivo immunomodulatory activities of iridoids fraction from Barleria prionitis Linn | Journal of ethnopharmacology |
22890441 | 20120101 | Dermal peptide delivery using enhancer molecules and colloidal carrier systems--part I: carnosine | Skin pharmacology and physiology |
21585401 | 20111001 | The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols | International journal of cosmetic science |
Complexity: | 37.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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