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

dimethyl adipate
dimethyl hexanedioate

Supplier Sponsors

Name:dimethyl hexanedioate
CAS Number: 627-93-0Picture of molecule3D/inchi
Other:111366-61-1
ECHA EINECS - REACH Pre-Reg:211-020-6
FDA UNII:BY71RX0R62
Nikkaji Web:J518E
Beilstein Number:1707443
MDL:MFCD00008469
XlogP3:1.00 (est)
Molecular Weight:174.19638000
Formula:C8 H14 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:food-contact surface of paper and paperboard
 
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
JECFA Food Flavoring:1964 dimethyl adipate
FEMA Number:4472 dimethyl adipate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):627-93-0 ; DIMETHYL ADIPATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05800 to 1.06100 @ 25.00 °C.
Pounds per Gallon - (est).: 8.804 to 8.829
Refractive Index:1.42700 to 1.42800 @ 20.00 °C.
Melting Point: 9.00 to 11.00 °C. @ 760.00 mm Hg
Boiling Point: 109.00 to 110.00 °C. @ 14.00 mm Hg
Boiling Point: 115.00 °C. @ 13.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.073000 mmHg @ 25.00 °C. (est)
Vapor Density:6.1 ( Air = 1 )
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 1.030
Soluble in:
 alcohol
 water, 6000 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: nutty
Odor Strength:low
nutty
Odor Description:at 100.00 %. mild nutty
Luebke, William tgsc, (1992)
Odor sample from: Sigma-Aldrich
Flavor Type: bitter
Taste Description: bitter oily nut skin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: emollients
plasticisers
skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
Dimethyl Adipate
Charkit Chemical
DIMETHYL ADIPATE
Inoue Perfumery
DIMETHYL ADIPATE
Jiangyin Healthway
Dimethyl Adipate Natural98%
New functional food ingredients
Jiangyin Healthway
Dimethyl Adipate
Penta International
DIMETHYL ADIPATE PURE
Penta International
DIMETHYL ADIPATE TECHNICAL GRADE
Santa Cruz Biotechnology
For experimental / research use only.
Dimethyl Adipate ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Dimethyl adipate ≥99%
SysKem Chemie
Dimethyl Adipate
TCI AMERICA
For experimental / research use only.
Dimethyl Adipate >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
 
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-rat LD50 1809 uL/kg
Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: food-contact surface of paper and paperboard
Recommendation for dimethyl adipate 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: 24
 average usual ppmaverage maximum ppm
baked goods: 0.5000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 5.0000010.00000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 5.0000010.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 5.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 5.0000010.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):627-93-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12329
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
dimethyl hexanedioate
Chemidplus:0000627930
EPA/NOAA CAMEO:hazardous materials
RTECS:AV1645000 for cas# 627-93-0
 
References:
 dimethyl hexanedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:627-93-0
Pubchem (cid):12329
Pubchem (sid):134978711
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 Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14570
HMDB (The Human Metabolome Database):HMDB41606
FooDB:FDB021761
Export Tariff Code:2917.12.5000
Haz-Map:View
Household Products:Search
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:Dimethyl adipate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 emollients
 plasticisers
 skin conditioning
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 adipic acid dimethyl ester
 adipic acid, dimethyl ester
 DBE 6 dibasic ester
 DBE-6 dibasic ester
 dimethyl 1,6-hexanedioate
 dimethyl adipate pure
 dimethyl hexane dioate
1,6-dimethyl hexane dioate
 dimethyl hexane-1,6-dioate
 dimethyl hexanedioate
1,6-dimethyl hexanedioate
 dimethyladipate
 hexane dioic acid 1,6-dimethyl ester
 hexane dioic acid dimethyl ester
 hexanedioic acid 1,6-dimethyl ester
 hexanedioic acid dimethyl ester
 hexanedioic acid, dimethyl ester
 

Articles:

PubMed:Catalytic oxidative cleavage of catechol by a non-heme iron(III) complex as a green route to dimethyl adipate.
PubMed:Computational evidence for self-initiation in spontaneous high-temperature polymerization of methyl methacrylate.
PubMed:Lipase-catalyzed dimethyl adipate synthesis: response surface modeling and kinetics.
PubMed:Characterization of pyrolysis products from a biodiesel phenolic urethane binder.
PubMed:[A new flavonoid from heartwood of Caesalpinia sappan].
PubMed:Chemoenzymatic synthesis and chemical recycling of sustainable polyurethanes.
PubMed:Preparation and characterization of hydroxyapatite/poly(ethylene adipate) hybrid composites.
PubMed:Enhancement of the Curie temperature by isomerization of diarylethene (DAE) for an organic-inorganic hybrid system: Co4(OH)7(DAE)0.5.3H2O.
PubMed:Induction of heat shock protein 70 in rat olfactory epithelium by toxic chemicals: in vitro and in vivo studies.
PubMed:Secondary metabolites from a Streptomyces strain isolated from Livingston Island, Antarctica.
PubMed:Sites and mechanisms for uptake of gases and vapors in the respiratory tract.
PubMed:Amphiphilic poly(ether ester amide) multiblock copolymers as biodegradable matrices for the controlled release of proteins.
PubMed:Mixture risk assessment: a case study of Monsanto experiences.
PubMed:Immunohistochemical localization of carboxylesterase in the nasal mucosa of rats.
PubMed:A microscopic and ultrastructural evaluation of dibasic esters (DBE) toxicity in rat nasal explants.
PubMed:Cytotoxicity of dibasic esters (DBE) metabolites in rat nasal explants.
PubMed:Deposition of dibasic esters in the upper respiratory tract of the male and female Sprague-Dawley rat.
PubMed:Carboxylesterase-dependent cytotoxicity of dibasic esters (DBE) in rat nasal explants.
PubMed:Metabolism of dibasic esters by rat nasal mucosal carboxylesterase.
PubMed:Anticonvulsant activity of deaminated analogues of glutamic acid diethyl ester (GDEE).
PubMed:Gas chromatographic-mass spectrometric determination of adipate-based polymeric plasticizers in foods.
 
Notes:
Solvent/diluent for flavouring agents [CCD]
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