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

diethyl adipate
hexanedioic acid, diethyl ester

Supplier Sponsors

Name:diethyl hexanedioate
CAS Number: 141-28-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-477-0
FDA UNII: 7B19K45L6C
Nikkaji Web:J5.805J
Beilstein Number:1780035
MDL:MFCD00009215
XlogP3-AA:1.30 (est)
Molecular Weight:202.25026000
Formula:C10 H18 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:solvents/deluents for flavor and/or 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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:09.348 diethyl adipate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00400 to 1.01000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.354 to 8.404
Refractive Index:1.42500 to 1.43100 @ 20.00 °C.
Melting Point: -20.00 to -18.00 °C. @ 760.00 mm Hg
Boiling Point: 244.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.026800 mmHg @ 25.00 °C. (est)
Flash Point: 232.00 °F. TCC ( 111.11 °C. )
logP (o/w): 2.370 (est)
Soluble in:
 alcohol
 water, 4230 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: fragrance
skin conditioning
skin conditioning - emollient
 
Suppliers:
BOC Sciences
For experimental / research use only.
Diethyl Hexanedioate
EMD Millipore
For experimental / research use only.
Diethyl Adipate
Global Essence
Diethyl Adipate
Grau Aromatics
DIETHYL-ADIPATE
NI, Kosher
Inoue Perfumery
DIETHYL ADIPATE
Jiangyin Healthway
Diethyl Adipate Natural98%
New functional food ingredients
Jiangyin Healthway
Diethyl Adipate
Lluch Essence
DIETHYL ADIPATE
Miltitz Aromatics
Diethyl Adipate
Moellhausen
DIETHYL ADIPATE
Penta International
DIETHYL ADIPATE
Santa Cruz Biotechnology
For experimental / research use only.
Diethyl hexanedioate
Seqens
Diethyl Adipate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Diethyl adipate ReagentPlus®, 99%
SRS Aromatics
DIETHYL ADIPATE
SysKem Chemie
Diethyl Adipate
TCI AMERICA
For experimental / research use only.
Diethyl Adipate >99.0%(GC)
WholeChem
Diethyl Adipate
 
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.
 
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-rat LD50 > 1600 mg/kg
(Patty, 1963)

intraperitoneal-mouse LD50 2190 mg/kg
Toxicology and Applied Pharmacology. Vol. 32, Pg. 566, 1975.

oral-mouse LD50 8100 mg/kg
Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
solvents/deluents for flavor and/or fragrance agents
Recommendation for diethyl adipate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.027 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):141-28-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8844
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
diethyl hexanedioate
Chemidplus:0000141286
RTECS:AV1100000 for cas# 141-28-6
 
References:
 diethyl hexanedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:141-28-6
Pubchem (cid):8844
Pubchem (sid):134975411
Pherobase:View
 
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
KEGG (GenomeNet):C14566
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.12.5000
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 emollients
 skin conditioning
 solvents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 adipic acid diethyl ester
 adipic acid, diethyl ester
 di-C8-26-alkyl adipates
 diethyl hexane dioate
1,6-diethyl hexane dioate
 diethyl hexane-1,6-dioate
 diethyl hexanedioate
1,6-diethyl hexanedioate
 diethyl-adipate
 ethyl delta-carboethoxyvalerate
 hexane dioic acid diethyl ester
 hexanedioic acid diethyl ester
 hexanedioic acid, 1,6-diethyl ester
 hexanedioic acid, C18-28-alkyl esters
 hexanedioic acid, di-C8-26-alkyl esters
 hexanedioic acid, diethyl ester
 
 
Notes:
None found
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