Butylene glycol

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

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Identification

Generic Name

Butylene glycol

DrugBank Accession Number

DB14110

Background

Not Available

Type

Small Molecule

Groups

Approved, Experimental

Structure

Similar Structures

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

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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
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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

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End
3ce Super Slim Pen Eye Liner Black	Liquid	0.04 g/0.9mL	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Brown	Liquid	0.05 g/0.9mL	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Burgundy Brown	Liquid	0.05 g/0.9mL	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Light Brown	Liquid	0.05 g/0.9mL	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
acmeros Lubricant X0026F3541	Oil	47.2 g/236mL	Cutaneous; Extracorporeal; Topical; Vaginal	Shenzhen Yuqintang Shengwu Jishu Co., Ltd.	2019-06-25	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Buddate Inonotus Obliquus Water Brilliance Mask	Butylene glycol (6.03 g/100g) + Glycerin (4 g/100g) + Inonotus obliquus fruiting body (0.1 g/100g)	Liquid	Topical	Buddate Co Ltd	2017-01-01	Not applicable
Buddate Inonotus Obliquus Water Brilliance Mask	Butylene glycol (6.03 g/100g) + Glycerin (4 g/100g) + Inonotus obliquus fruiting body (0.1 g/100g)	Liquid	Topical	Buddate Co Ltd	2017-01-01	2017-01-02
Buddate Reges Intensive Treatment	Butylene 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)	Cream	Topical	Buddate Co Ltd	2017-01-01	2017-01-02
Buddate Reges Intensive Treatment	Butylene 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)	Cream	Topical	Buddate Co Ltd	2017-01-01	Not applicable
Cream	Butylene glycol (2 g/20g) + Hyaluronic acid (5 g/20g) + Nicotinamide (4 g/20g) + Vitamin E (3 g/20g)	Cream	Cutaneous	Shantou Youjia E-Commerce Co., Ltd.	2024-02-01	2024-12-31

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
3ce Super Slim Pen Eye Liner Black	Butylene glycol (0.04 g/0.9mL)	Liquid	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Brown	Butylene glycol (0.05 g/0.9mL)	Liquid	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Burgundy Brown	Butylene glycol (0.05 g/0.9mL)	Liquid	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
3ce Super Slim Pen Eye Liner Light Brown	Butylene glycol (0.05 g/0.9mL)	Liquid	Topical	Nanda Co., Ltd	2016-08-10	Not applicable
acmeros Lubricant X0026F3541	Butylene glycol (47.2 g/236mL)	Oil	Cutaneous; Extracorporeal; Topical; Vaginal	Shenzhen Yuqintang Shengwu Jishu Co., Ltd.	2019-06-25	Not applicable

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

External Links

Human Metabolome Database: HMDB0031320
ChemSpider: 13837670
RxNav: 1310542
ChEBI: 52683
ChEMBL: CHEMBL3186475
Wikipedia: Butanediol

Clinical Trials

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Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
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4	Completed	Treatment	Melasma	1	somestatus	stop reason	just information to hide

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Liquid	Topical	0.04 g/0.9mL
Liquid	Topical	0.05 g/0.9mL
Oil	Cutaneous; Extracorporeal; Topical; Vaginal	47.2 g/236mL
Spray	Topical	1.92 mg/80mL
Liquid	Topical
Cream	Topical
Cream	Cutaneous
Cloth	Topical
Liquid	Topical	4 g/100mL
Cream	Topical	7.5 g/100mL
Liquid	Topical	5 g/100mL
Liquid	Topical	5 g/100g
Liquid	Topical	6 g/100mL
Patch	Topical
Lotion	Topical	30.0 g/200mL
Oil	Cutaneous; Extracorporeal; Vaginal	48 g/240mL
Tape	Cutaneous; Extracorporeal	1.6 g/8g
Emulsion	Topical
Shampoo	Topical	1 g/100g
Oil	Cutaneous; Extracorporeal; Topical; Vaginal	7 g/35mL
Tape	Cutaneous; Extracorporeal	48 g/240mL
Tape	Cutaneous; Extracorporeal	0.2 g/1g
Oil	Cutaneous; Extracorporeal; Topical; Vaginal	60 g/300mL
Liquid	Cutaneous
Shampoo	Cutaneous
Oil	Cutaneous; Extracorporeal; Topical; Vaginal	80 g/400mL
Oil	Cutaneous; Extracorporeal; Topical; Vaginal	48 g/240mL

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	742.0 mg/mL	ALOGPS
logP	-0.59	ALOGPS
logP	-0.73	Chemaxon
logS	0.92	ALOGPS
pKa (Strongest Acidic)	15.41	Chemaxon
pKa (Strongest Basic)	-2.4	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	40.46 Å²	Chemaxon
Rotatable Bond Count	2	Chemaxon
Refractivity	23.84 m³·mol^-1	Chemaxon
Polarizability	9.96 Å³	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00ed-9000000000-c5284fbbfa520bd1fa8b
GC-MS Spectrum - EI-B	GC-MS	splash10-002g-9000000000-3c919c2dc91ea11f9690
GC-MS Spectrum - EI-B	GC-MS	splash10-0007-9000000000-8ebe37c5aa22df7ae557
Mass Spectrum (Electron Ionization)	MS	splash10-002g-9000000000-60200c691a2f25ef35ca
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-529b82e28cbbb32dbdf6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-9000000000-099dc1cde7efd0ed1ada
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-a5ccec23743bed3db0ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fu-9000000000-fded2e49a6845857726e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-037ac63b73cdacf1d8a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4u-9000000000-7f35fb08de8bf425ccde
1H NMR Spectrum	1D NMR	Not Applicable
13C NMR Spectrum	1D NMR	Not Applicable
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[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

Butylene glycol

Identification

Structure for Butylene glycol (DB14110)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)