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

tricaproin
hexanoic acid, 1,2,3-propanetriyl ester

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Name:2,3-di(hexanoyloxy)propyl hexanoate
CAS Number: 621-70-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-701-5
FDA UNII: EZ1Y9R895Y
Nikkaji Web:J53.998H
Beilstein Number:1806732
MDL:MFCD00042905
XlogP3-AA:5.70 (est)
Molecular Weight:386.52906000
Formula:C21 H38 O6
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -60.00 °C. @ 760.00 mm Hg
Boiling Point: 244.00 °C. @ 28.00 mm Hg
Boiling Point: 429.00 to 430.00 °C. @ 490.00 mm Hg (est)
Flash Point: 356.00 °F. TCC ( 180.20 °C. ) (est)
logP (o/w): 6.330 (est)
Soluble in:
 water, 0.45 mg/L @ 37 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
TRIHEXANOIN >95.0%(GC)
Santa Cruz Biotechnology
For experimental / research use only.
Glycerol trihexanoate
Sigma-Aldrich: Sigma
For experimental / research use only.
Glycerol trihexanoate ∼99%
sds
TCI AMERICA
For experimental / research use only.
Tricaproin >95.0%(GC)
sds
 
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:
intravenous-mouse LD50 122 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
solvents
Recommendation for tricaproin usage levels up to:
 not for fragrance use.
 
Recommendation for tricaproin 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):621-70-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12131
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,3-di(hexanoyloxy)propyl hexanoate
Chemidplus:0000621705
RTECS:MB2700000 for cas# 621-70-5
 
References:
 2,3-di(hexanoyloxy)propyl hexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12131
Pubchem (sid):134976399
 
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB31125
FooDB:FDB003136
Export Tariff Code:2940.00.6000
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:
 caproic triglyceride
1,3-di(hexanoyloxy)propan-2-yl hexanoate
2,3-di(hexanoyloxy)propyl hexanoate
 glycerol tricaproate
 glycerol tricapronate
 glycerol trihexanoate
 glyceryl tricaproate
 hexanoic acid 1,2,3-propane triyl ester
 hexanoic acid, 1,2,3-propanetriyl ester
 hexanoin, tri- (6CI,7CI,8CI)
2-hexanoyloxy-1-(hexanoyloxymethyl)ethyl hexanoate
 palmitic acid triglyceride
 propane-1,2,3-triyl trihexanoate
1,2,3-propanetriyl trihexanoate
 tri-N-caproin
 tricapronin
 tricaproyl glycerol
 tricaproylglycerol
1,2,3-tricaproylglycerol
 trihexanoin
 trihexanoyl glycerol
 trihexanoylglycerol
 

Articles:

PubMed:Protein engineering of Bacillus thermocatenulatus lipase via deletion of the α5 helix.
PubMed:Fatty acid selectivity of lipases during acidolysis reaction between oleic acid and monoacid triacylglycerols.
PubMed:Predicting the solubility of the anti-cancer agent docetaxel in small molecule excipients using computational methods.
PubMed:An alternative paclitaxel self-emulsifying microemulsion formulation: preparation, pharmacokinetic profile, and hypersensitivity evaluation.
PubMed:Purification and characterization of organic solvent-stable lipase from organic solvent-tolerant Pseudomonas aeruginosa LST-03.
PubMed:Saturated triglycerides and fatty acids activate neutrophils depending on carbon chain-length.
PubMed:Tricaproin, tricaprin and trilaurin are utilized more efficiently than tricaprylin by carp (Cyprinus carpio L.) larvae.
PubMed:An improved GLC method for a rapid, simultaneous analysis of both medium chain fatty acids and medium chain triglycerides in plasma.
PubMed:Purification and characterization of Pseudomonas fluorescens SIK W1 lipase expressed in Escherichia coli.
PubMed:The effect of dietary fatty acid composition on liver retinyl ester (vitamin A ester) composition in the rat.
PubMed:Effects of substitution of tricaproin for tallow and of protein concentration in milk substitutes on nitrogen and energy balance in the preruminant lamb.
PubMed:Effects of dietary triglycerides on serum and liver lipids and sterol excretion of rats.
PubMed:[Effect of short- or medium-chain fatty acids on cholesterol dynamics in the rat].
PubMed:[Effect on energy and nitrogen balances of replacing part of the tallow in a milk replacer for preruminant calves by tricaproin or coconut oil: effect of previous feeding level].
PubMed:Hydrolysis of vegetable oils and triglycerides by thermotolerant and zoopathogenic species of Aspergillus from Nigerian palm produce.
PubMed:[Isolation and characteristics of Penicillium roqueforti lipases].
PubMed:Effect of taurodeoxycholate, colipase and temperature on the interfacial inactivation of porcine pancreatic lipase.
PubMed:Recombination products from the radiolysis of tricaproin.
PubMed:Purification and properties of a glycerol ester hydrolase (lipase) from Propionibacterium shermanii.
PubMed:Lipase from Pseudomonas fragi. II. Properties of the Enzyme.
PubMed:Glycerol ester hydrolase activity of lactic acid bacteria.
PubMed:Isolation and characterization of four lipolytic preparations from rat skeletal muscle.
PubMed:THE EFFECT OF TEMPERATURE ON THE RATE OF HYDROLYSIS OF TRIGLYCERIDES BY PANCREATIC LIPASE.
 
Notes:
Probable constit. of fats
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