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1,3-propane diol
1,3-propanediol

Supplier Sponsors

Name:propane-1,3-diol
CAS Number: 504-63-2Picture of molecule3D/inchi
Other(deleted CASRN):757125-93-2
ECHA EINECS - REACH Pre-Reg:207-997-3
FDA UNII: 5965N8W85T
Nikkaji Web:J2.606I
Beilstein Number:0969155
MDL:MFCD00002949
XlogP3:-1.00 (est)
Molecular Weight:76.09516000
Formula:C3 H8 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Also(can) Contains:propane diol
Category:solvents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 FDA/DG SANTE Petitions, Reviews, Notices:
GRN 302 1,3-propanediol View - notice PDF
DG SANTE Food Contact Materials:1,3-propanediol
FEMA Number:4753 1,3-propanediol
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05300 to 1.05600 @ 20.00 °C.
Pounds per Gallon - (est).: 8.772 to 8.797
Refractive Index:1.43800 to 1.44100 @ 20.00 °C.
Boiling Point: 214.00 to 215.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.034000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): -1.040 (est)
Soluble in:
 alcohol
 water, 1e+006 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: solvents
viscosity controlling agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3-Dihydroxypropane
Connect Chemicals
Bio-1,3-Propanediol
Odor: characteristic
Use: bio-Propanediol can act as multipurpose ingredient: emollient, humectant, booster, solvent, viscosity enhancer and carrier for actives. bio-Propanediol is a high purity ingredient 100% from renewable sources GMO-free.
ECSA Chemicals
PROPANEDIOL NATURAL
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
EMD Millipore
For experimental / research use only.
1,3-Propanediol
Penta International
1,3-PROPANEDIOL NATURAL
Penta International
1,3-PROPANEDIOL NF
Penta International
1,3-PROPANEDIOL
Santa Cruz Biotechnology
For experimental / research use only.
1,3-Propanediol ≥99%
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,3-Propanediol 98%
TCI AMERICA
For experimental / research use only.
1,3-Propanediol >98.0%(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:
intraperitoneal-mouse LD50 4780 mg/kg
Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.

oral-cat LDLo 3000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.

unreported-mouse LD50 10930 mg/kg
National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986

intravenous-rabbit LDLo 3000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.

intramuscular-rat LDLo 6000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.

oral-rat LDLo 10000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
solvents
Recommendation for 1,3-propane diol usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 26
Click here to view publication 26
 average usual ppmaverage maximum ppm
baked goods: 1300.000001300.00000
beverages(nonalcoholic): 690.00000690.00000
beverages(alcoholic): 690.00000690.00000
breakfast cereal: --
cheese: --
chewing gum: 1800.000001800.00000
condiments / relishes: 20.0000020.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 810.00000810.00000
fruit ices: 810.00000810.00000
gelatins / puddings: 250.00000290.00000
granulated sugar: --
gravies: --
hard candy: 1300.000001300.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 300.00000300.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 1300.000001300.00000
soups: 20.0000020.00000
sugar substitutes: --
sweet sauces: 7000.000007000.00000
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):504-63-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10442
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
propane-1,3-diol
Chemidplus:0000504632
RTECS:TY2010000 for cas# 504-63-2
 
References:
 propane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:504-63-2
Pubchem (cid):10442
Pubchem (sid):134976098
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
Metabolomics Database:Search
KEGG (GenomeNet):C02457
HMDB (The Human Metabolome Database):Search
YMDB (Yeast Metabolome Database):YMDB02312
Export Tariff Code:2905.39.9000
FDA Listing of Food Additive Status:View
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-deoxyglycerol
1,3-dihydroxypropane
2-(hydroxymethyl)ethanol
 propan-1,3-diol
1,3-propandiol
1,3-propane diol
 propane-1,3-diol
1,3-propanediol
1,3-propylene glycol
beta-propylene glycol
1,3-propylenediol
 trimethylene glycol
 

Articles:

PubMed:Effect of 1,3-propanediol, organic acids, and ethanol on growth and metabolism of Clostridium butyricum DSP1.
PubMed:Biotechnological potential of Clostridium butyricum bacteria.
PubMed:Hypothetical glycerol pathways of newly isolated strains capable of 1,3-propanediol production.
PubMed:Fully glycerol-independent microbial production of 1, 3-propanediol via non-natural pathway: Paving the way to success with synthetic tiles.
PubMed:2-Chloro-1,3-propanediol (2-MCPD) and its fatty acid esters: cytotoxicity, metabolism, and transport by human intestinal Caco-2 cells.
PubMed:Metabolic Engineering of a Glycerol-Oxidative Pathway in Lactobacillus panis PM1 for Utilization of Bioethanol Thin Stillage: Potential To Produce Platform Chemicals from Glycerol.
PubMed:Impurities of crude glycerol and their effect on metabolite production.
PubMed:Identification of a new angiotensin-converting enzyme (ACE) inhibitor from Thai edible plants.
PubMed:Conversion of glycerol to 1,3-propanediol by Citrobacter freundii and Hafnia alvei - newly isolated strains from the Enterobacteriaceae.
PubMed:Biorefinery development through utilization of biodiesel industry by-products as sole fermentation feedstock for 1,3-propanediol production.
PubMed:Transcriptional repressor role of PocR on the 1,3-propanediol biosynthetic pathway by Lactobacillus panis PM1.
PubMed:Scale-up of anaerobic 1,3-propanediol production by Clostridium butyricum DSP1 from crude glycerol.
PubMed:Biosynthesis of 1,3-propanediol from glycerol with Lactobacillus reuteri: effect of operating variables.
PubMed:Bioconversion of glycerol to 1,3-propanediol in thin stillage-based media by engineered Lactobacillus panis PM1.
PubMed:Enhanced production of 3-hydroxypropionic acid from glycerol by modulation of glycerol metabolism in recombinant Escherichia coli.
PubMed:[Construction of polyhydroxybutyrate pathway in Klebsiella pneumoniae].
PubMed:Microbial purification of postfermentation medium after 1,3-PD production from raw glycerol.
PubMed:Denitrification of industrial wastewater: Influence of glycerol addition on metabolic activity and community shifts in a microbial consortium.
PubMed:Biodegradation of glycerol using bacterial isolates from soil under aerobic conditions.
PubMed:FTY720 for cancer therapy (Review).
PubMed:Volatile components of essential oil from cultivated Myrica gale var. tomentosa and its antioxidant and antimicrobial activities.
PubMed:Glycerol and environmental factors: effects on 1,3-propanediol production and NAD(+) regeneration in Lactobacillus panis PM1.
PubMed:Toxicology, occurrence and risk characterisation of the chloropropanols in food: 2-monochloro-1,3-propanediol, 1,3-dichloro-2-propanol and 2,3-dichloro-1-propanol.
PubMed:Alkaline conditions stimulate the production of 1,3-propanediol in Lactobacillus panis PM1 through shifting metabolic pathways.
PubMed:Influence of oxygen on NADH recycling and oxidative stress resistance systems in Lactobacillus panis PM1.
PubMed:Enhanced 1,3-propanediol production by a newly isolated Citrobacter freundii strain cultivated on biodiesel-derived waste glycerol through sterile and non-sterile bioprocesses.
PubMed:Isolation and characterization of novel 1,3-propanediol-producing Lactobacillus panis PM1 from bioethanol thin stillage.
PubMed:Picea mariana bark: a new source of trans-resveratrol and other bioactive polyphenols.
PubMed:Molecular cloning, co-expression, and characterization of glycerol dehydratase and 1,3-propanediol dehydrogenase from Citrobacter freundii.
PubMed:Isolation, identification and characterization of human intestinal bacteria with the ability to utilize chloramphenicol as the sole source of carbon and energy.
PubMed:Adaptation dynamics of Clostridium butyricum in high 1,3-propanediol content media.
PubMed:Isolation process of industrially useful Clostridium bifermentans from natural samples.
PubMed:Furan induction of DNA cross-linking and strand breaks in turkey fetal liver in comparison to 1,3-propanediol.
PubMed:Enhancement of pH stability and activity of glycerol dehydratase from Klebsiella pneumoniae by rational design.
PubMed:Klebsiella spp as a 1, 3-propanediol producer: the metabolic engineering approach.
PubMed:Impact of anaerobiosis strategy and bioreactor geometry on the biochemical response of Clostridium butyricum VPI 1718 during 1,3-propanediol fermentation.
PubMed:Microbial utilization of crude glycerol for the production of value-added products.
PubMed:Rapid NMR method for the quantification of organic compounds in thin stillage.
PubMed:Microbiological and chemical characterisation of ting, a sorghum-based sourdough product from Botswana.
PubMed:1,3-Propanediol dehydrogenases in Lactobacillus reuteri: impact on central metabolism and 3-hydroxypropionaldehyde production.
PubMed:Further investigation into maple syrup yields 3 new lignans, a new phenylpropanoid, and 26 other phytochemicals.
PubMed:Production of 1,3-propanediol by Clostridium butyricum growing on biodiesel-derived crude glycerol through a non-sterilized fermentation process.
PubMed:Effect of biodiesel-derived waste glycerol impurities on biomass and 1,3-propanediol production of Clostridium butyricum VPI 1718.
PubMed:Debottlenecking the 1,3-propanediol pathway by metabolic engineering.
PubMed:Influence of environmental parameters on production of the acrolein precursor 3-hydroxypropionaldehyde by Lactobacillus reuteri DSMZ 20016 and its accumulation by wine lactobacilli.
PubMed:Industrial biotechnology: tools and applications.
PubMed:Novel metabolites from cereal-associated lactobacilli - novel functionalities for cereal products?
PubMed:Sugar-glycerol cofermentations by Lactobacillus hilgardii isolated from wine.
PubMed:Glycerol metabolism and bitterness producing lactic acid bacteria in cidermaking.
PubMed:Crystallization and phase behavior of fatty acid esters of 1,3 propanediol III: 1,3 propanediol dicaprylate/1,3 propanediol distearate (CC/SS) and 1,3 propanediol dicaprylate/1,3 propanediol dipalmitate (CC/PP) binary systems.
PubMed:Glycerol induces reuterin production and decreases Escherichia coli population in an in vitro model of colonic fermentation with immobilized human feces.
PubMed:Significant lability of guaiacylglycerol beta-phenacyl ether under alkaline conditions.
PubMed:Crystallization and phase behavior of 1,3-propanediol esters II. 1,3-propanediol distearate/1,3-propanediol dipalmitate (SS/PP) and 1,3-propanediol distearate/1,3-propanediol dimyristate (SS/MM) binary systems.
PubMed:Crystallization and phase behavior of fatty acid esters of 1,3-propanediol I: pure systems.
PubMed:Thermal behavior of beta-1 subunits in lignin: pyrolysis of 1,2-diarylpropane-1,3-diol-type lignin model compounds.
PubMed:Biogenic amines in natural ciders.
PubMed:Stability and comparative metabolism of selected felbamate metabolites and postulated fluorofelbamate metabolites by postmitochondrial suspensions.
PubMed:Eicosapentaenoic acid modulates the immune response but has no effect on a mimic of antigen-specific responses.
PubMed:Constituents of the leaves of Peucedanum japonicum Thunb. and their biological activity.
PubMed:Development of a new method, based on a bioreactor coupled with an L-lactate biosensor, toward the determination of a nonspecific inhibition of L-lactic acid production during milk fermentation.
PubMed:3-hydroxypropionaldehyde: applications and perspectives of biotechnological production.
PubMed:Purification and structural characterization of 3-hydroxypropionaldehyde and its derivatives.
PubMed:Effect of glucose on glycerol bioconversion by Lactobacillus reuteri.
PubMed:Production of 1,3-propanediol by Klebsiella pneumoniae.
PubMed:Effect of water activity and immobilization on fatty acid selectivity for esterification reactions mediated by lipases.
PubMed:Metabolism and distribution of [2,3-(14)C]acrolein in laying hens.
PubMed:Glycosides and phenylpropanoid glycerol in vitis vinifera cv. Gewurztraminer wine.
PubMed:Biodegradable films from isolate of sunflower (Helianthus annuus) proteins.
PubMed:Comparative fatty acid selectivity of lipases in esterification reactions with glycerol and diol analogues in organic media.
PubMed:Selectivity of celite-immobilized patatin (lipid acyl hydrolase) from potato (Solanum tuberosum L.) tubers in esterification reactions As influenced by water activity and glycerol analogues as alcohol acceptors.
PubMed:Chemicals from biotechnology: molecular plant genetics will challenge the chemical and the fermentation industry.
PubMed:Acute, subchronic, and chronic toxicity studies with felbamate, 2-phenyl-1,3-propanediol dicarbamate.
PubMed:Cross-linking of starch with bifunctional precursors of nitroalkenes.
PubMed:The vicinal chloroalcohols 1,3-dichloro-2-propanol (DC2P), 3-chloro-1,2-propanediol (3CPD) and 2-chloro-1,3-propanediol (2CPD) are not genotoxic in vivo in the wing spot test of Drosophila melanogaster.
PubMed:Determination of 2-ethylhexyl 4-(N-methyl-N-nitrosamino) benzoate in commercial sunscreens and cosmetic products.
PubMed:Felbamate pharmacology and use in epilepsy.
 
Notes:
None found
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