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paraldehyde
2,4,6-trimethyl-1,3,5-trioxane

Supplier Sponsors

Name:2,4,6-trimethyl-1,3,5-trioxane
CAS Number: 123-63-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-639-8
FDA UNII: S6M3YBG8QA
Nikkaji Web:J5.543C
Beilstein Number:0080142
MDL:MFCD00036208
CoE Number:594
XlogP3:0.70 (est)
Molecular Weight:132.15924000
Formula:C6 H12 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:food contact phenolic resins in molded articles
 
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
DG SANTE Food Flavourings:05.053 2,4,6-trimethyl-1,3,5-trioxane
FEMA Number:4010 paraldehyde
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):123-63-7 ; PARALDEHYDE
FDA Regulation:
FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS
Subpart C--Substances for Use Only as Components of Articles Intended for Repeated Use
Sec. 177.2410 Phenolic resins in molded articles.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99400 @ 25.00 °C.
Refractive Index:1.40500 @ 20.00 °C.
Melting Point: 11.00 to 13.00 °C. @ 760.00 mm Hg
Boiling Point: 123.00 to 124.00 °C. @ 760.00 mm Hg
Vapor Pressure:15.693000 mmHg @ 25.00 °C. (est)
Vapor Density:4.57 ( Air = 1 )
Flash Point: 75.00 °F. TCC ( 23.89 °C. )
logP (o/w): 0.670
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store under nitrogen.
Storage:refrigerate in tightly sealed containers. store under nitrogen.
Soluble in:
 alcohol
 water, 112000 mg/L @ 30 °C (exp)
 
Organoleptic Properties:
Odor Description:at 0.10 % in propylene glycol. sweet aromatic
Odor and/or flavor descriptions from others (if found).
FCI SAS
PARALDEHYDE
Odor Description:Strong, warm, sweet
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Paraldehyde
FCI SAS
PARALDEHYDE
Odor: Strong, warm, sweet
Godavari Biorefineries
Paraldehyde
Jinan Enlighten Chemical Technology(Wutong Aroma )
Paraldehyde, Kosherk
Parchem
paraldehyde
Penta International
2,4,6-TRIMETHYL-1,3,5-TRIOXANE
Sigma-Aldrich: Sigma
For experimental / research use only.
Paraldehyde
Sunaux International
Paraldehyde
WholeChem
Paraldehyde
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
F - Highly flammable.
R 11 - Highly flammable.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 38 - In case of insufficient ventlation, wear suitable respiratory equipment.
 
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-mouse LD50 2750 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 19, 1957.

oral-rabbit LD50 3304 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.

oral-cat LDLo 3300 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

unreported-man LDLo 1462 mg/kg
"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.

intramuscular-man TDLo 568 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
British Journal of Psychiatry. Vol. 149, Pg. 650, 1986.

intraperitoneal-mouse LD50 1257 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 19, 1957.

oral-rat LD50 1530 mg/kg
Union Carbide Data Sheet. Vol. 3/24/1970

intraperitoneal-rat LDLo 2100 mg/kg
Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.

Dermal Toxicity:
subcutaneous-rat LDLo 1650 mg/kg
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 182, Pg. 348, 1936.

skin-rabbit LD50 14100 uL/kg
Union Carbide Data Sheet. Vol. 3/24/1970

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
food contact phenolic resins in molded articles
Recommendation for paraldehyde 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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 80.00000200.00000
beverages(nonalcoholic): 3.0000020.00000
beverages(alcoholic): 15.0000040.00000
breakfast cereal: 3.0000012.00000
cheese: --
chewing gum: 80.00000200.00000
condiments / relishes: --
confectionery froastings: 15.00000100.00000
egg products: 15.00000100.00000
fats / oils: 15.00000100.00000
fish products: --
frozen dairy: 10.0000060.00000
fruit ices: 8.0000040.00000
gelatins / puddings: 10.0000050.00000
granulated sugar: --
gravies: --
hard candy: 20.0000089.00000
imitation dairy: --
instant coffee / tea: 5.0000030.00000
jams / jellies: --
meat products: --
milk products: 5.0000040.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 15.0000050.00000
snack foods: --
soft candy: 20.0000060.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission
View page or View pdf

EPI System: View
ClinicalTrials.gov:search
Daily Med:search
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-63-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31264
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1264
WGK Germany:1
2,4,6-trimethyl-1,3,5-trioxane
Chemidplus:0000123637
EPA/NOAA CAMEO:hazardous materials
RTECS:123-63-7
 
References:
 2,4,6-trimethyl-1,3,5-trioxane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:123-63-7
Pubchem (cid):31264
Pubchem (sid):134974572
 
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 Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C07834
HMDB (The Human Metabolome Database):HMDB32456
FooDB:FDB010010
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•grade: technical, usp. •paraldehyde: oral & rectal (liquid) paral (c-iv) from forest. •paraldehyde: parenteral (sterile) paraldehyde injection (c-iv) from cmc. •the british pharmacopeia specifies that it contains a suitable amount of an antioxidant; the usa pharmacopeia permits a suitable stabilizer. •paraldehyde draught (bpc 1973)] paraldehyde 4 ml, syrup 8 ml, liquorice liquid extract 3 ml, water to 50 ml. •paraldehyde enema (bpc 1973) paraldehyde 10 ml, sodium chloride solution to 100 ml. it must be freshly prepared. •paraldehyde injection (bp). sterile paraldehyde which has been sterilized by filtration; it contains no added antimicrobial preservatives. •paraldehyde mixture (apf). paraldehyde draught. paraldehyde 10 ml, liquorice liquid extract 10 ml, water to 100 ml. it should be recently prepared. separation occurs below 5 deg c and above 25 deg c. nord. p. has paraldehyde 10 g, methanol 10 mg, alcohol 20 g, acacia mucilage 30 g, liquorice liquid extract 5 g, & water 35 g.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
p-acetaldehyde
para-acetaldehyde
 acetaldehyde trimer
 acetaldehyde, trimer
 aldehyde (para)
 elaldehyde
 paral
S-trimethyl trioxymethylene
2,4,6-trimethyl-1,3,5-trioxacyclohexane
2,6-trimethyl-1,3,5-trioxacyclohexane
2,4,6-trimethyl-1,3,5-trioxane
2,6-trimethyl-1,3,5-trioxane
1,3,5-trimethyl-2,4,6-trioxane
1,5-trimethyl-2,4,6-trioxane
2,4,6-trimethyl-s-trioxane
S-trimethyltrioxymethylene
2,6-trimetil-1,3,5-triossano
1,3,5-trioxane, 2,4,6-trimethyl-
1,5-trioxane, 2,4,6-trimethyl-
 
 
Notes:
a hypnotic and sedative with anticonvulsant effects. however, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. it is still occasionally used to control status epilepticus resistant to conventional treatment. (from martindale, the extra pharmacopoeia, 30th ed, p608-9) Used as a food additive [EAFUS]
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