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1,5-pentane diol

solvents
2D:
3D:
CAS Number: 111-29-5
ECHA EC Number: 203-854-4
FDA UNII: 07UXZ0SCST
Category: solvents
IUPAC Name: 1,5-pentane diol
InChI : InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
Std.InChI: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey : ALQSHHUCVQOPAS-UHFFFAOYAE
Std.InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
SMILES : C(CCO)CCO
MDL: MFCD00002978
Molar Refractivity : 28.28 ± 0.3 cm3 (est)
Parachor : 264.5 ± 4.0 cm3 (est)
Index of Refraction : 1.445 ± 0.02 (est)
Surface Tension : 38.6 ± 3.0 dyne/cm (est)
Density : 0.981 ± 0.06 g/cm3 (est)
Polarizability : 11.21 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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Physical Properties:

Appearance:colorless clear viscous liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99400 @ 25.00 °C.
Refractive Index:1.45000 @ 20.00 °C.
Melting Point: -16.00 °C. @ 760.00 mm Hg
Boiling Point: 238.00 to 239.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.003900 mmHg @ 25.00 °C.
Flash Point: 265.00 °F. TCC ( 129.44 °C. )
logP (o/w): -0.599 (est)
Soluble in:
alcohol
water, 6.633e+004 mg/L @ 25 °C (est)

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: solvents

Suppliers:

BOC Sciences
For experimental / research use only.
1,5-Pentanediol 99.8%
Connect Chemicals
Bio-pentanediol
Penta International
1,5-PENTANEDIOL
Santa Cruz Biotechnology
For experimental / research use only.
1,5-Pentanediol
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,5-Pentanediol 96%
TCI AMERICA
For experimental / research use only.
1,5-Pentanediol >97.0%(GC)

Safety Information:

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rabbit LD50 6300 mg/kg
BEHAVIORAL: MUSCLE WEAKNESSBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.

oral-rat LD50 2000 mg/kg
Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

oral-mouse LD50 6300 mg/kg
BEHAVIORAL: MUSCLE WEAKNESSBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.

intraperitoneal-mouse LD50 2250 mg/kg
Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.

oral-guinea pig LD50 4600 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENTBEHAVIORAL: MUSCLE WEAKNESS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
Union Carbide Data Sheet. Vol. 5/22/1959

Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
solvents
Recommendation for 1,5-pentane diol usage levels up to:
not for fragrance use.
Recommendation for 1,5-pentane diol flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-29-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8105
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pentane-1,5-diol
Chemidplus:0000111295
RTECS:SA0480000 for cas# 111-29-5

References:

pentane-1,5-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:111-29-5
Pubchem (cid):8105
Pubchem (sid):134975015
Pherobase:View

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
ChemSpider:View
Wikipedia:View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

1,5-dihydroxypentane
pentamethylene glycol
1,5-pentamethylene glycol
alpha,omega-pentane diol
pentane-1,5-diol
1,5-pentanediol
alpha,omega-pentanediol
1,5-pentylene glycol

Articles:

PubMed:Contribution of liver alcohol dehydrogenase to metabolism of alcohols in rats.
PubMed:Excess enthalpies of mixing, effect of temperature and composition on the density, and viscosity and thermodynamic properties of binary systems of {ammonium-based ionic liquid + alkanediol}.
PubMed:Enzymatic production of 5-aminovalerate from L-lysine using L-lysine monooxygenase and 5-aminovaleramide amidohydrolase.
PubMed:Tetrabutylammonium bromide (TBABr)-based deep eutectic solvents (DESs) and their physical properties.
PubMed:A comparative ultrasonic relaxation study of lower vicinal and terminal alkanediols at 298.15 K in relation to their molecular structure and hydrogen bonding.
PubMed:1,3,5-Tri-p-tolyl-pentane-1,5-diol.
PubMed:Preliminary crystallographic analysis of a cruciferin protein from seeds of Moringa oleifera.
PubMed:Isolation, structure determination, and antiaging effects of 2,3-pentanediol from endophytic fungus of Curcuma amada and docking studies.
PubMed:Molybdenum-catalyzed deoxydehydration of vicinal diols.
PubMed:Aqueous phase hydrogenation of levulinic acid to 1,4-pentanediol.
PubMed:Safety assessment and biological effects of a new cold processed SilEmulsion for dermatological purpose.
PubMed:Phase-diagram-guided method for growth of a large crystal of glycoside hydrolase family 45 inverting cellulase suitable for neutron structural analysis.
PubMed:Cubic and sponge phases in ether lipid-solvent-water ternary systems: phase behavior and NMR characterization.
PubMed:Controlled synthesis of ultrathin lamellar Eu(2)O(3) nanocrystals: self-assembly of 1D nanowires to 2D nanosheets.
PubMed:In vivo study of an instantly formed lipid-water cubic phase formulation for efficient topical delivery of aminolevulinic acid and methyl-aminolevulinate.
PubMed:Metabolic engineering of Escherichia coli for the production of 5-aminovalerate and glutarate as C5 platform chemicals.
PubMed:Catalyst-controlled reversal of chemoselectivity in acylation of 2-aminopentane-1,5-diol derivatives.
PubMed:Highly crosslinked polymeric monoliths for reversed-phase capillary liquid chromatography of small molecules.
PubMed:Synthesis of high molecular weight polyesters via in vacuo dehydrogenation polymerization of diols.
PubMed:Theoretical calculation of the OH vibrational overtone spectra of 1,5-pentanediol and 1,6-hexanediol.
PubMed:A Fast Degrading Odd-Odd Aliphatic Polyester-5,7 Made by Condensation Polymerization for Biomedical Applications.
PubMed:The preparation of 3-substituted-1,5-dibromopentanes as precursors to heteracyclohexanes.
PubMed:Direct catalytic conversion of furfural to 1,5-pentanediol by hydrogenolysis of the furan ring under mild conditions over Pt/Co2AlO4 catalyst.
PubMed:The size control of silver nanocrystals with different polyols and its application to low-reflection coating materials.
PubMed:Influence of polyols on the formation of iron oxide nanoparticles in solvothermal system.
PubMed:A practical total synthesis of (+)-spirolaxine methyl ether.
PubMed:Internally protected amino sugar equivalents from enantiopure 1,2-oxazines: synthesis of variably configured carbohydrates with C-branched amino sugar units.
PubMed:Allergic contact dermatitis to propyl gallate and pentylene glycol in an emollient cream.
PubMed:Lipase-catalyzed regioselective monoacetylation of unsymmetrical 1,5-primary diols.
PubMed:Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth.
PubMed:Bridged oligonucleotides as molecular probes for investigation of enzyme-substrate interaction and allele-specific analysis of DNA.
PubMed:Reactivity of poly-alcohols towards OH, NO3 and SO4- in aqueous solution.
PubMed:In vitro activity of chlorhexidine and pentane-1,5-diol and their combination on Candida albicans, Staphylococcus aureus and Propionibacterium acnes.
PubMed:1,4-Butanediol content of aqua dots children's craft toy beads.
PubMed:Therapeutic effect of 1,5-pentanediol for herpes simplex labialis: a randomized, double-blind, placebo-controlled clinical trial.
PubMed:The shape evolution of gold seeds and gold@silver core-shell nanostructures.
PubMed:Experimental stroke protection induced by 4-hydroxybenzyl alcohol is cancelled by bacitracin.
PubMed:Transferable force field for alcohols and polyalcohols.
PubMed:Chemoselective hydrogenolysis of tetrahydrofurfuryl alcohol to 1,5-pentanediol.
PubMed:Effect of pentane-1,5-diol and propane-1,2-diol on percutaneous absorption of terbinafine.
PubMed:Enantioselective syntheses of both enantiomers of noranabasamine.
PubMed:Thermal properties and mixing state of diol-water mixtures studied by calorimetry, large-angle X-ray scattering, and NMR relaxation.
PubMed:A comparison of pentane-1,5-diol to other diols for use in dermatology.
PubMed:Synthesis of phosphate monomers and bonding to dentin: esterification methods and use of phosphorus pentoxide.
PubMed:Allergic contact dermatitis to pentylene glycol in a cosmetic cream.
PubMed:[Spectral studies on liquid crystal photoalignment film of photosensitive monomer with fluorinated groups].
PubMed:Polyhedral gold nanocrystals with O h symmetry: from octahedra to cubes.
PubMed:Treatment of atopic dermatitis with 1% hydrocortisone and 25% pentane-1,5-diol: effect on Staphylococcus aureus.
PubMed:Thermotropic properties of organic nanocrystals embedded in ultrasmall crystallization chambers.
PubMed:MD simulations of the binding of alcohols and diols by a calixarene in water: connections between microscopic and macroscopic properties.
PubMed:Pentane-1,5-diol as a percutaneous absorption enhancer.
PubMed:Total synthesis of the epoxy isoprostane phospholipids PEIPC and PECPC.
PubMed:The in vitro activity of pentane-1,5-diol against aerobic bacteria. A new antimicrobial agent for topical usage?
PubMed:Removal of lipopolysaccharides from protein-lipopolysaccharide complexes by nonflammable solvents.
PubMed:Characterization of European wine glycerol: stable carbon isotope approach.
PubMed:Improved assay for determination of busulfan by liquid chromatography using postcolumn photolysis.
PubMed:Simple synthesis of beta-D-glycopyranosides using beta-glycosidase from almonds.
PubMed:Allergic contact dermatitis from pentylene glycol in an emollient cream, with possible co-sensitization to resveratrol.
PubMed:Continuous monitoring of prostatic acid phosphatase using self-indicating substrates.
PubMed:Effects of aldehydes and methods of cross-linking on properties of calcium alginate microspheres prepared by emulsification.
PubMed:Stereocontrolled total synthesis of the Stemona alkaloid (-)-stenine.
PubMed:Volumes of aqueous alcohols, ethers, and ketones to T = 523 K and p = 28 MPa.
PubMed:Aerobic and anaerobic metabolism of glutaraldehyde in a river water-sediment system.
PubMed:New synthesis of serricornin, the female sex pheromone of the cigarette beetle.
PubMed:Ecotoxicology of glutaraldehyde: review of environmental fate and effects studies.
PubMed:Determination of leachable components from four commercial dental composites by gas and liquid chromatography/mass spectrometry.
PubMed:On protein solubility in organic solvent.
PubMed:The effect of pH and temperature on the stability and enzymatic activity of prostatic acid phosphatase. Studies on the optimization of a continuous monitored determination of acid phosphatase, II.
PubMed:Effect of ascorbic acid on the metabolism of N-nitrosopiperidine.
PubMed:Protection of CGS 10078B against ouabain-induced arrhythmia in the cat.
PubMed:[Synthesis of propenol and pentanediol derivatives].
PubMed:Synthesis and antitumor effect of new biological alkylating agents, isethionic acid esters.
PubMed:Mutagenicity and alpha-hydroxylation of N-nitrosopyrrolidine and N-nitrosopiperidine: a possible correlation.
PubMed:The antimycotic activity in vitro of five diols.
PubMed:Permeability of dog lung endothelium to sodium, diols, amides, and water.
PubMed:Inhibition of bovine hepatic fructose-1,6-diphosphatase by substrate analogs.
PubMed:Action of gamma radiation on liquid 1,5-pentanediol.
PubMed:Preparation of dihydropyran delta-hydroxyvaleraldehyde and 1,5-pentanediol from tetrahydrofurfuryl alcohol.
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