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
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
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

QC Data

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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