Butylene glycol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Butylene glycol
DrugBank Accession Number
DB14110
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
Weight
Average: 90.121
Monoisotopic: 90.068079564
Chemical Formula
C4H10O2
Synonyms
  • (RS)-1,3-Butandiol
  • 1,3 Butylene glycol
  • 1,3-Butandiol
  • 1,3-Butanediol
  • 1,3-Butylene glycol
  • 1,3-Butylenglykol
  • BD
  • beta-Butylene glycol
  • Butane-1,3-diol
  • Methyltrimethylene glycol
External IDs
  • BRN 1731276

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
No interactions found.

Products

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
3ce Super Slim Pen Eye Liner BlackLiquid0.04 g/0.9mLTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner BrownLiquid0.05 g/0.9mLTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner Burgundy BrownLiquid0.05 g/0.9mLTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner Light BrownLiquid0.05 g/0.9mLTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
acmeros Lubricant X0026F3541Oil47.2 g/236mLCutaneous; Extracorporeal; Topical; VaginalShenzhen Yuqintang Shengwu Jishu Co., Ltd.2019-06-25Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Buddate Inonotus Obliquus Water Brilliance MaskButylene glycol (6.03 g/100g) + Glycerin (4 g/100g) + Inonotus obliquus fruiting body (0.1 g/100g)LiquidTopicalBuddate Co Ltd2017-01-01Not applicableUS flag
Buddate Inonotus Obliquus Water Brilliance MaskButylene glycol (6.03 g/100g) + Glycerin (4 g/100g) + Inonotus obliquus fruiting body (0.1 g/100g)LiquidTopicalBuddate Co Ltd2017-01-012017-01-02US flag
Buddate Reges Intensive TreatmentButylene glycol (5.57 g/100mL) + Hydrogenated coconut oil (4 g/100mL) + Palmitoyl oligopeptide (0.000006 g/100mL) + Palmitoyl tetrapeptide-7 (0.000006 g/100mL) + Shea butter (3 g/100mL)CreamTopicalBuddate Co Ltd2017-01-012017-01-02US flag
Buddate Reges Intensive TreatmentButylene glycol (5.57 g/100mL) + Hydrogenated coconut oil (4 g/100mL) + Palmitoyl oligopeptide (0.000006 g/100mL) + Palmitoyl tetrapeptide-7 (0.000006 g/100mL) + Shea butter (3 g/100mL)CreamTopicalBuddate Co Ltd2017-01-01Not applicableUS flag
Dark spot correctorButylene glycol (5 g/100g) + Nicotinamide (3 g/100g) + Shea butter (1.2 g/100g) + alpha-Arbutin (2.5 g/100g)CreamTopicalShenzhen Weikemo Intelligent Technology CO.,LTD2020-03-30Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
3ce Super Slim Pen Eye Liner BlackButylene glycol (0.04 g/0.9mL)LiquidTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner BrownButylene glycol (0.05 g/0.9mL)LiquidTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner Burgundy BrownButylene glycol (0.05 g/0.9mL)LiquidTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
3ce Super Slim Pen Eye Liner Light BrownButylene glycol (0.05 g/0.9mL)LiquidTopicalNanda Co., Ltd2016-08-10Not applicableUS flag
acmeros Lubricant X0026F3541Butylene glycol (47.2 g/236mL)OilCutaneous; Extracorporeal; Topical; VaginalShenzhen Yuqintang Shengwu Jishu Co., Ltd.2019-06-25Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3XUS85K0RA
CAS number
107-88-0
InChI Key
PUPZLCDOIYMWBV-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
IUPAC Name
butane-1,3-diol
SMILES
CC(O)CCO

References

General References
Not Available
Human Metabolome Database
HMDB0031320
ChemSpider
13837670
RxNav
1310542
ChEBI
52683
ChEMBL
CHEMBL3186475
Wikipedia
Butanediol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical0.04 g/0.9mL
LiquidTopical0.05 g/0.9mL
OilCutaneous; Extracorporeal; Topical; Vaginal47.2 g/236mL
SprayTopical1.92 mg/80mL
LiquidTopical
CreamTopical
ClothTopical
LiquidTopical4 g/100mL
CreamTopical7.5 g/100mL
LiquidTopical5 g/100mL
LiquidTopical5 g/100g
LiquidTopical6 g/100mL
PatchTopical
LotionTopical30.0 g/200mL
OilCutaneous; Extracorporeal; Vaginal48 g/240mL
TapeCutaneous; Extracorporeal1.6 g/8g
EmulsionTopical
ShampooTopical1 g/100g
OilCutaneous; Extracorporeal; Topical; Vaginal7 g/35mL
TapeCutaneous; Extracorporeal48 g/240mL
TapeCutaneous; Extracorporeal0.2 g/1g
OilCutaneous; Extracorporeal; Topical; Vaginal60 g/300mL
OilCutaneous; Extracorporeal; Topical; Vaginal80 g/400mL
OilCutaneous; Extracorporeal; Topical; Vaginal48 g/240mL
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility742.0 mg/mLALOGPS
logP-0.59ALOGPS
logP-0.73Chemaxon
logS0.92ALOGPS
pKa (Strongest Acidic)15.41Chemaxon
pKa (Strongest Basic)-2.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area40.46 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity23.84 m3·mol-1Chemaxon
Polarizability9.96 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00ed-9000000000-c5284fbbfa520bd1fa8b
GC-MS Spectrum - EI-BGC-MSsplash10-002g-9000000000-3c919c2dc91ea11f9690
GC-MS Spectrum - EI-BGC-MSsplash10-0007-9000000000-8ebe37c5aa22df7ae557
Mass Spectrum (Electron Ionization)MSsplash10-002g-9000000000-60200c691a2f25ef35ca
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-529b82e28cbbb32dbdf6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-099dc1cde7efd0ed1ada
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a5ccec23743bed3db0ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fu-9000000000-fded2e49a6845857726e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-037ac63b73cdacf1d8a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4u-9000000000-7f35fb08de8bf425ccde
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-110.823685
predicted
DarkChem Lite v0.1.0
[M-H]-120.10593
predicted
DeepCCS 1.0 (2019)
[M+H]+111.055585
predicted
DarkChem Lite v0.1.0
[M+H]+122.34045
predicted
DeepCCS 1.0 (2019)
[M+Na]+110.164785
predicted
DarkChem Lite v0.1.0
[M+Na]+130.62608
predicted
DeepCCS 1.0 (2019)

Drug created at June 21, 2018 17:05 / Updated at June 12, 2020 16:53