EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

tridecanoic acid
tridecylic acid

Sponsors

Name:tridecanoic acid
CAS Number: 638-53-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-341-1
FDA UNII:19936LIY2V
Nikkaji Web:J1.715I
Beilstein Number:0508317
MDL:MFCD00002741
XlogP3:4.70 (est)
Molecular Weight:214.34862000
Formula:C13 H26 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
FEMA Number:4336 tridecanoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: TRIDECANOIC ACID
 
Physical Properties:
Appearance:white crystalline solid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 41.00 to 43.00 °C. @ 760.00 mm Hg
Boiling Point: 236.00 °C. @ 100.00 mm Hg
Boiling Point: 312.00 to 313.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000299 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 5.282 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 33 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: waxy
Odor Strength:medium
waxy woody
Odor Description:at 100.00 %. waxy woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Tridecanoic Acid
Penta International
TRIDECANOIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
Tridecanoic Acid
Sigma-Aldrich: Sigma
For experimental / research use only.
Tridecanoic Acid ≥98%
TCI AMERICA
For experimental / research use only.
Tridecanoic acid >98.0%(GC)(T)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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:
intravenous-mouse LD50 130 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for tridecanoic acid usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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: 23
 average usual ppmaverage maximum ppm
baked goods: 0.020000.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):638-53-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12530
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
tridecanoic acid
Chemidplus:0000638539
RTECS:YD3850000 for cas# 638-53-9
 
References:
 tridecanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:638-53-9
Pubchem (cid):12530
Pubchem (sid):134975837
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C17076
HMDB (The Human Metabolome Database):HMDB00910
FooDB:FDB010409
Export Tariff Code:2915.90.1050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
aldehydic
lily pentanal
FR
floral
iso
jasmone
FL/FR
mimosa absolute france
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl hexanoate
FL/FR
fruity
osmanthus flower absolute
FL/FR
For Flavor
No flavor group found for these
osmanthus flower absolute
FL/FR
floral
floral
orris rhizome resinoid (iris pallida)
FL/FR
green
iso
jasmone
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
waxy
mimosa absolute france
FL/FR
phenethyl hexanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cantaloupe root
Search Trop Picture
 coconut seed
Search Trop Picture
 elder black elder flower
Search Trop Picture
 nutmeg seed
Search Trop Picture
 nutmeg seed oil
Search Trop Picture
 rice
Search Trop Picture
 rue oil cuba @ 0.07%
Data GC Search Trop Picture
 star fruit oil cuba @ 0.30%
Data GC Search Trop Picture
 
Synonyms:
 tridecoic acid
 tridecylic acid
 

Articles:

PubMed:Mimicking the lipid peroxidation inhibitory activity of phospholipid hydroperoxide glutathione peroxidase (GPx4) by using fatty acid conjugates of a water-soluble selenolane.
PubMed:Two new labdane diterpenoids from the rhizomes of Isodon yuennanensis.
PubMed:Engineering Escherichia coli for odd straight medium chain free fatty acid production.
PubMed:Olfaction in Asian tiger mosquito Aedes albopictus: flight orientation response to certain saturated carboxylic acids in human skin emanations.
PubMed:Novel chemical constituents with anti-inflammatory activity from the leaves of Sesbania aculeata.
PubMed:Cyclopropyl and ω-cyclohexyl fatty acids as quality markers of cow milk and cheese.
PubMed:Modulation of lipid digestibility using structured emulsion-based delivery systems: comparison of in vivo and in vitro measurements.
PubMed:Functional evolution of duplicated odorant-binding protein genes, Obp57d and Obp57e, in Drosophila.
PubMed:A microfluidic device for the automated derivatization of free fatty acids to fatty acid methyl esters.
PubMed:Anaerobic biodegradation of n-hexadecane by a nitrate-reducing consortium.
PubMed:Thermodynamic characterization of mixed monolayers of two similar amide amphiphiles different only by exchange of substituents position.
PubMed:Structures of the high-temperature solid phases of the odd-numbered fatty acids from tridecanoic acid to tricosanoic acid.
PubMed:Effect of the exchange of substituent position in an amide amphiphile on the monolayer characteristics.
PubMed:Effects of concentration and temperature on SDS monolayers at the air-solution interface studied by infrared external reflection spectroscopy.
PubMed:Polymorphism of monolayer lipid membrane structures made from unsymmetrical bolaamphiphiles.
PubMed:Crystal structure of the complex formed between a group I phospholipase A2 and a naturally occurring fatty acid at 2.7 A resolution.
PubMed:New butenolides in plantlets of Virola surinamensis (Myristicaceae).
PubMed:Triacylglycerols in prokaryotic microorganisms.
PubMed:The biosynthetic incorporation of short-chain linear saturated fatty acids by Acholeplasma laidlawii B may suppress cell growth by perturbing membrane lipid polar headgroup distribution.
PubMed:Biosynthesis of fatty acids and triacylglycerols by 2,6,10,14-tetramethyl pentadecane-grown cells of Nocardia globerula 432.
PubMed:Stereospecificity of the (Z)-9 desaturase that converts (E)-11-tetradecenoic acid into (Z,E)-9,11-tetradecadienoic acid in the biosynthesis of Spodoptera littoralis sex pheromone.
PubMed:Determination of EETs using microbore liquid chromatography with fluorescence detection.
PubMed:Production of polyesters consisting of medium chain length 3-hydroxyalkanoic acids by Pseudomonas mendocina 0806 from various carbon sources.
PubMed:Cryptoregiochemistry of the delta11-myristoyl-CoA desaturase involved in the biosynthesis of Spodoptera littoralis sex pheromone.
PubMed:Distinct effects of fatty acids on translocation of gamma- and epsilon-subspecies of protein kinase C.
PubMed:Determination of total fat in foods and feeds by the caviezel method, based on a gas chromatographic technique.
PubMed:Trapping and metabolism of radioiodinated PHIPA 3-10 in the rat myocardium.
PubMed:Chemical and biological properties of lipopolysaccharide from Selenomonas sputigena ATCC 33150.
PubMed:Pharmacokinetics of radioiodinated fatty acid myocardial imaging agents in animal models and human studies.
PubMed:Substrate specificity of acetyltransferase and reductase enzyme systems used in pheromone biosynthesis by Asian corn borer,Ostrinia furnacalis.
PubMed:Distinct effects of saturated fatty acids on protein kinase C subspecies.
PubMed:Chemical structure of the lipid A component of lipopolysaccharides of the genus Pectinatus.
PubMed:Structure and metabolic control of the Yarrowia lipolytica peroxisomal 3-oxoacyl-CoA-thiolase gene.
PubMed:Determination of the acyl moieties of the antibiotic complex A40926 and their relation with the membrane lipids of the producer strain.
PubMed:The substrate specificity of Saccharomyces cerevisiae myristoyl-CoA:protein N-myristoyltransferase. Analysis of myristic acid analogs containing oxygen, sulfur, double bonds, triple bonds, and/or an aromatic residue.
PubMed:Taxonomy and pathogenicity of Erwinia cacticida sp. nov.
PubMed:Lipid a component of Salmonella typhimurium carrying the derepressed Col Ib plasmids.
PubMed:Radioiodinated p-phenylene bridged fatty acids as new myocardial imaging agents: syntheses and biodistribution in rats.
PubMed:Teichoic acids of Streptococcus agalactiae: chemistry, cytotoxicity, and effect on bacterial adherence to human cells in tissue culture.
PubMed:Mouse submaxillary gland renin contains a noncovalently attached fatty acid.
PubMed:Characterization of a new antibiotic of iturin group: bacillomycin D.
PubMed:A new principle of injectable depot contraceptives. I Drug selection and studies in monkeys.
PubMed:Omega-cyclohexyl fatty acids in acidophilic thermophilic bacteria. Studies on their presence, structure, and biosynthesis using precursors labeled with stable isotopes and radioisotopes.
PubMed:Preparation and Properties of Tridecanoic Acid Containing C14 in the Carboxyl Group.
 
Notes:
Tridecanoic acid is a short-chain fatty acid.
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