Ethylhexylglycerin

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Data Packages

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Identification

Generic Name

Ethylhexylglycerin

DrugBank Accession Number

DB14557

Background

An emollient solvent with antimicrobial activity.

Type

Small Molecule

Groups

Experimental

Structure

3D

Download

MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Ethylhexylglycerin (DB14557)

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Weight

Average: 204.31
Monoisotopic: 204.172544633

Chemical Formula

C₁₁H₂₄O₃

Synonyms

• 3-(2-Ethylhexyloxy)propane-1,2-diol
• Octoxyglycerin

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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings

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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

Not Available

Products

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Over the Counter Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Cluederm Aqua Solution Cleansys	Liquid	5 mg/500mL	Topical	Classys Inc.	2018-07-19	2019-03-29
Lady Goong	Liquid	1 g/100g	Vaginal	Lady House Co., Ltd.	2020-10-17	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
AnubisMed	Ethylhexylglycerin (0.025 g/50mL) + Ammonia (2.75 g/50mL) + Ascorbyl glucoside (0.25 g/50mL) + Ethanol (6.3 mL/50mL) + Glycolic acid (17 g/50mL) + Hexylresorcinol (1 g/50mL) + Hydroxyethyl cellulose (0.34875 g/50mL) + Isopropyl alcohol (0.75 g/50mL) + Kojic acid (2.5 g/50mL) + Lactic acid (5 g/50mL) + Phenoxyethanol (0.225 g/50mL) + Propylene glycol (0.5 g/50mL) + Salicylic acid (1 g/50mL) + Water (7.333 mL/50mL)	Liquid	Topical	ANUBIS COSMETICS SL	2022-11-04	2027-07-01
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	2020-05-29
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	2020-05-29
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Didecyldimethylammonium chloride (0.24 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-06-12	Not applicable
Disinfecting Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Didecyldimethylammonium chloride (0.24 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Cluederm Aqua Solution Cleansys	Ethylhexylglycerin (5 mg/500mL)	Liquid	Topical	Classys Inc.	2018-07-19	2019-03-29
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	2020-05-29
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	2020-05-29
Disinfectant Cleaning Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Didecyldimethylammonium chloride (0.24 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-06-12	Not applicable
Disinfecting Wipes	Ethylhexylglycerin (0.12 g/1601) + Benzalkonium chloride (0.12 g/1601) + Didecyldimethylammonium chloride (0.24 g/1601) + Glycerin (0.12 g/1601) + Phenoxyethanol (0.6 g/1601) + Propylene glycol (0.12 g/1601)	Cloth	Extracorporeal	Reynard (Ningbo) Biotechnology Co., Ltd.	2020-04-17	Not applicable

Categories

Drug Categories

• Alcohols
• Ethers
• Sugar Alcohols
• Triose Sugar Alcohols

Classification

Not classified

Affected organisms

Not Available

Chemical Identifiers

UNII

147D247K3P

CAS number

70445-33-9

InChI Key

NCZPCONIKBICGS-UHFFFAOYSA-N

InChI

InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3

IUPAC Name

3-[(2-ethylhexyl)oxy]propane-1,2-diol

SMILES

CCCCC(CC)COCC(O)CO

References

General References

Not Available

External Links

ChemSpider

8034793

RxNav

1367134

Wikipedia

Ethylhexylglycerin

Clinical Trials

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Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Liquid	Topical
Liquid	Topical	5 mg/500mL
Cloth	Extracorporeal
Swab	Topical
Liquid	Cutaneous
Liquid	Vaginal	1 g/100g

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	2.73 mg/mL	ALOGPS
logP	2.14	ALOGPS
logP	1.83	Chemaxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	13.64	Chemaxon
pKa (Strongest Basic)	-3	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	3	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	49.69 Å2	Chemaxon
Rotatable Bond Count	9	Chemaxon
Refractivity	57.42 m3·mol-1	Chemaxon
Polarizability	25.1 Å3	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	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 MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01p9-9300000000-c6e6e94b20f1857b73f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01q9-9710000000-304f32d47409432726e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05as-9000000000-2b2627bb3f37907f898e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-08i0-5900000000-17933fbef8f1da4ad6de
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a6u-9000000000-2db9dc2c1d6b4a04db62
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6t-9600000000-d2c38e32b21b216c0d2a
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]-	143.652	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.55989	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.9225	predicted	DeepCCS 1.0 (2019)

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Drug created at July 20, 2018 16:05 / Updated at June 12, 2020 16:53