1,2-Pentanediol
Product Information
Molecular Formula
C5H12O2
Molecular Weight
104.15
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.
Synonyms
pentane-1,2-diol; pentane-1,2-diol
IUPAC Name
pentane-1,2-diol
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
Application
This product is suitable for scientific research.
Refractive Index
n20/D 1.439 (lit.)
LogP
0.13970
Safety Information
Precautionary Statement
P264, P280, P301+P310, P305+P351+P338, P310, P331, P337+P313, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
104.083729621 g/mol
Monoisotopic Mass
104.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
37.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114146044-A | Sodium hyaluronate essence and preparation method thereof | 2022-01-18 |
| CN-114085353-A | Light-heat dual-curing resin and preparation method thereof | 2021-12-31 |
| CN-114159333-A | Muscle foundation liquid and preparation method thereof | 2021-12-31 |
| CN-114159334-A | Composition and essence for removing dark eye circles, whitening and tightening and preparation method thereof | 2021-12-31 |
| CN-114181610-A | Microcapsule type self-repairing dual-curing super-hydrophobic coating and preparation method thereof | 2021-12-31 |
| CN-114053191-A | Anti-aging composition and preparation method and application thereof | 2021-12-30 |
| CN-114099393-A | Composition with tightening and anti-aging effects and preparation method and application thereof | 2021-12-30 |
| CN-114159370-A | Application of oat fermentation extract in preparation of cosmetics | 2021-12-29 |
| CN-114129499-A | Preparation and application of plant mixed extract with anti-wrinkle and tightening effects | 2021-12-28 |
| CN-114159375-A | Preparation method and application of stem cell disruption solution for skin care product preparation | 2021-12-24 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23064773 | 2012-09-01 | Safety assessment of 1,2-glycols as used in cosmetics | International journal of toxicology |
| 22296970 | 2012-05-15 | Binary VOCs absorption in a rotating packed bed with blade packings | Journal of environmental management |
| 22440262 | 2012-05-07 | In vitro and in vivo immunomodulatory activities of iridoids fraction from Barleria prionitis Linn | Journal of ethnopharmacology |
| 22890441 | 2012-01-01 | Dermal peptide delivery using enhancer molecules and colloidal carrier systems--part I: carnosine | Skin pharmacology and physiology |
| 21585401 | 2011-10-01 | The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols | International journal of cosmetic science |
| 21075144 | 2011-01-01 | Anti-hepatitis C virus activity of Acacia confusa extract via suppressing cyclooxygenase-2 | Antiviral research |
| 21103326 | 2010-11-16 | Intraspecies prion transmission results in selection of sheep scrapie strains | PloS one |
| 20084331 | 2010-02-01 | Cardiovascular activity of the n-butanol fraction of the methanol extract of Loranthus ferrugineus Roxb | Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas |
| 19446757 | 2009-06-05 | The influence of alcohol, propylene glycol and 1,2-pentanediol on the permeability of hydrophilic model drug through excised pig skin | International journal of pharmaceutics |
| 19149166 | 2008-11-01 | [Separation, characters and biological functions of Erwinia chrysanthemi pv. zeae toxin] | Wei sheng wu xue bao = Acta microbiologica Sinica |
