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

dimethyl malonate
propanedioic acid, dimethyl ester

Supplier Sponsors

Name:dimethyl propanedioate
CAS Number: 108-59-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-597-8
FDA UNII:EM8Y79998C
Nikkaji Web:J1.499K
Beilstein Number:0774261
MDL:MFCD00008460
CoE Number:11754
XlogP:0.30 (est)
Molecular Weight:132.11556000
Formula:C5 H8 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:09.558 dimethyl malonate
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.15000 to 1.15600 @ 25.00 °C.
Pounds per Gallon - (est).: 9.569 to 9.619
Refractive Index:1.41100 to 1.41700 @ 20.00 °C.
Melting Point: -62.00 °C. @ 760.00 mm Hg
Boiling Point: 181.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.059000 mmHg @ 25.00 °C. (est)
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): -0.050
Soluble in:
 alcohol
 water, 9.951e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Aceto
Dimethyl Malonate
Achiewell
For experimental / research use only.
Dimethyl Malonate
Beijing Lys Chemicals
Dimethyl malonate
BOC Sciences
For experimental / research use only.
Dimethyl Malonate
Carbosynth
For experimental / research use only.
Dimethyl Malonate
Charkit Chemical
DIMETHYL MALONATE
EMD Millipore
For experimental / research use only.
Dimethyl Malonate
Grau Aromatics
DIMETHYL MALONATE
NI, Kosher
Inoue Perfumery
DIMETHYL MALONATE
K.L. Koh Enterprise
DIMETHYL MALONATE
OQEMA
Dimethyl Malonate
Penta International
DIMETHYL MALONATE
Santa Cruz Biotechnology
For experimental / research use only.
Dimethyl Malonate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Dimethyl malonate 98%
SRS Aromatics
DIMETHYL MALONATE
TCI AMERICA
For experimental / research use only.
Dimethyl Malonate >98.0%(GC)
WholeChem
Dimethyl malonate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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 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:
oral-rat LD50 5331 mg/kg
(Merck Index, 1992)

oral-rat LD50 4620 mg/kg
(Levenstein, 1976a)

oral-rat LD50 5331 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for dimethyl malonate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.097 (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
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
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):108-59-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7943
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
dimethyl propanedioate
Chemidplus:0000108598
RTECS:OO0950000 for cas# 108-59-8
 
References:
 dimethyl propanedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-59-8
Pubchem (cid):7943
Pubchem (sid):134970676
 
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
CHEMBL:View
UM BBD:Search
HMDB (The Human Metabolome Database):Search
FooDB:FDB008118
Export Tariff Code:2917.19.7050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRfruit
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
 dimethyl 1,3-propane dioate
 dimethyl propane dioate
 dimethyl propanedioate
1,3-dimethyl propanedioate
2,2-dimethyl-malonic acid
 dimethylmalonate
 malonic acid dimethyl ester
 propane dioic acid dimethyl ester
 propanedioic acid, dimethyl ester
 prpanedioic acid dimethyl ester
 
 
Notes:
do not confuse with methylmalonate, i.e., malonic acid substituted with a methyl group on c2.
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