U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYLENE GLYCOL

SMILES

CC(O)CC(C)(C)O

InChI

InChIKey=SVTBMSDMJJWYQN-UHFFFAOYSA-N
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

HIDE SMILES / InChI
Hexylene glycol is a small molecular weight surfactant. Hexylene Glycol is a solvent and viscosity agent used in many skin care products. Hexylene Glycol is a solvent and viscosity agent used in many skin care products. It is used to thin out heavy compositions and create a thinner, more spreadable product. Hexylene Glycol is a solvent and viscosity agent used in many skin care products. Hexylene glycol is used in the formulation of hair and bath products, eye and facial makeup, fragrances, personal cleanliness products, and shaving and skin care products. Hexylene glycol is widely used in the coating industry as a component for lacquers, varnishes, printing inks and both oil and water-based paints. Although the FDA has approved Hexylene Glycol and the CIR found it an acceptable solvent in skin care products, some studies have shown that it is an irritant.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
HERBALIFE SKIN 7 DAY RESULTS KIT

Approved Use

Helps prevent sunburn. If used as directed with other sun protection measures, decreases the risk of skin cancer and early skin aging caused by the sun.
PubMed

PubMed

TitleDatePubMed
X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution.
2001 Apr
Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries.
2001 Jun 8
Structure of the neurotoxic complex vipoxin at 1.4 A resolution.
2001 Nov
The X-ray crystal structure of P3, the major coat protein of the lipid-containing bacteriophage PRD1, at 1.65 A resolution.
2002 Jan
Towards the crystal structure of glycerol dehydrogenase from Thermotoga maritima.
2002 May
An overview on 2-methyl-2,4-pentanediol in crystallization and in crystals of biological macromolecules.
2002 Oct
Vapor diffusion, nucleation rates and the reservoir to crystallization volume ratio.
2002 Oct
Screening of nucleation conditions using levitated drops for protein crystallization.
2003 Apr 1
Novel titanium compounds for metal-organic chemical vapor deposition of titanium dioxide films with an ultrahigh deposition rate.
2003 Apr 7
Increased temperature and 2-methyl-2,4-pentanediol change the DNA structure of both curved and uncurved adenine/thymine-rich sequences.
2003 Jul 22
The crystal structure and stereospecificity of levodione reductase from Corynebacterium aquaticum M-13.
2003 May 23
Dynamics of curved DNA molecules: prediction and experiment.
2003 Sep 17
Crystalization and preliminary X-ray crystallographic analysis of the laminarinase endo-beta-1,3-glucanase from Pyrococcus furiosus.
2004 Dec
Exclusion of alcohols from spermidine-DNA assemblies: probing the physical basis of preferential hydration.
2004 Jun 29
Effects of naturally occurring osmolytes on protein stability and solubility: issues important in protein crystallization.
2004 Nov
Crystallization and preliminary X-ray analysis of binary and ternary complexes of Haloferax mediterranei glucose dehydrogenase.
2005 Aug 1
Pentane-1,5-diol as a percutaneous absorption enhancer.
2005 Dec
Crystallization and preliminary X-ray analysis of gene product 44 from bacteriophage Mu.
2005 Jan 1
Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
2005 Jan 1
Effect of organic cosolvents on the free solution mobility of curved and normal DNA molecules.
2006 Apr
The Membrane Protein Data Bank.
2006 Jan
Cloning, expression, purification and preliminary crystallographic characterization of a shikimate dehydrogenase from Corynebacterium glutamicum.
2006 Jul 1
Andersen's syndrome mutation effects on the structure and assembly of the cytoplasmic domains of Kir2.1.
2006 Jul 18
Crystallization and preliminary X-ray analysis of the rhamnogalacturonan lyase YesW from Bacillus subtilis strain 168, a member of polysaccharide lyase family 11.
2006 May 1
Crystallization and preliminary X-ray diffraction studies of a hyperthermophilic Rieske protein variant (SDX-triple) with an engineered rubredoxin-like mononuclear iron site.
2006 Oct 1
The structural basis for promoter -35 element recognition by the group IV sigma factors.
2006 Sep
Structure of Bacillus halmapalus alpha-amylase crystallized with and without the substrate analogue acarbose and maltose.
2006 Sep 1
Trypanosoma brucei UDP-galactose-4'-epimerase in ternary complex with NAD+ and the substrate analogue UDP-4-deoxy-4-fluoro-alpha-D-galactose.
2006 Sep 1
In silico prediction of SARS protease inhibitors by virtual high throughput screening.
2007 Apr
Crystallization, data collection and processing of the chymotrypsin-BTCI-trypsin ternary complex.
2007 Dec 1
Purification, crystallization and preliminary crystallographic analysis of the putative thiamine-biosynthesis protein PH1313 from Pyrococcus horikoshii OT3.
2007 Jan 1
Structure of the ThDP-dependent enzyme benzaldehyde lyase refined to 1.65 A resolution.
2007 Jul 1
Preliminary crystallographic analysis of L-2-keto-3-deoxyarabonate dehydratase, an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism.
2007 May 1
Aqueous self-assembly of phytantriol in ternary systems: effect of monoolein, distearoylphosphatidylglycerol and three water-miscible solvents.
2007 Nov 15
Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multienzyme complex.
2008 Dec 10
Mapping of immunogenic and protein-interacting regions at the surface of the seven-bladed beta-propeller domain of the HIV-1 cellular interactor EED.
2008 Feb 27
Characterization of Aquifex aeolicus 4-diphosphocytidyl-2C-methyl-d-erythritol kinase - ligand recognition in a template for antimicrobial drug discovery.
2008 Jun
Crystal structure of a sulfur carrier protein complex found in the cysteine biosynthetic pathway of Mycobacterium tuberculosis.
2008 Sep 30
A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
2009 Dec 10
Crystallization and preliminary X-ray diffraction analysis of a complex between the electron-transfer partners hexameric Cu-containing nitrite reductase and pseudoazurin.
2009 Feb 1
Substrate binding induces structural changes in cytochrome P450cam.
2009 Feb 1
Progress in rational methods of cryoprotection in macromolecular crystallography.
2010 Apr
Crystallization and preliminary X-ray analysis of a marine diatom-infecting single-stranded RNA virus.
2010 Nov 1
Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron.
2010 Oct 1
Open and closed conformations of two SpoIIAA-like proteins (YP_749275.1 and YP_001095227.1) provide insights into membrane association and ligand binding.
2010 Oct 1
Structure of an essential bacterial protein YeaZ (TM0874) from Thermotoga maritima at 2.5 Å resolution.
2010 Oct 1
Implications for collagen binding from the crystallographic structure of fibronectin 6FnI1-2FnII7FnI.
2010 Oct 29
PagP crystallized from SDS/cosolvent reveals the route for phospholipid access to the hydrocarbon ruler.
2010 Sep 8
Patents
Name Type Language
HEXYLENE GLYCOL
HSDB   II   INCI   MART.   MI   USP-RS  
INCI  
Official Name English
HEXYLENE GLYCOL [USP-RS]
Common Name English
HEXYLENE GLYCOL [MI]
Common Name English
2-Methyl-2,4-pentanediol
Systematic Name English
HEXYLENE GLYCOL [HSDB]
Common Name English
HEXYLENE GLYCOL [MART.]
Common Name English
NSC-8098
Code English
2,4-PENTANEDIOL, 2-METHYL-
Systematic Name English
HEXYLENE GLYCOL [II]
Common Name English
HEXYLENE GLYCOL [INCI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 68601
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
Code System Code Type Description
RS_ITEM_NUM
1308200
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
HSDB
1126
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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CAS
107-41-5
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-489-0
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
DAILYMED
KEH0A3F75J
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
EVMPD
SUB28776
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
CHEBI
62995
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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NSC
8098
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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FDA UNII
KEH0A3F75J
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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NCI_THESAURUS
C77469
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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MESH
C011480
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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SMS_ID
100000092284
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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EPA CompTox
DTXSID5021885
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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PUBCHEM
7870
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104293
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
CONCEPT Industrial Aid
RXCUI
1305548
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY RxNorm
MERCK INDEX
m6016
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
2-METHYL-2,4-PENTANEDIOL
Created by admin on Fri Dec 15 16:16:30 GMT 2023 , Edited by admin on Fri Dec 15 16:16:30 GMT 2023
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