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

diethyl maleate
maleic acid diethyl ester

Supplier Sponsors

Name:diethyl but-2-enedioate
CAS Number: 141-05-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-451-9
FDA UNII:G81WQB56OL
Beilstein Number:1100825
MDL:MFCD00009191
CoE Number:10551
XlogP3-AA:0.90 (est)
Molecular Weight:172.18044000
Formula:C8 H12 O4
NMR Predictor:Predict (works with chrome or firefox)
Name:diethyl (E)-but-2-enedioate
CAS Number: 141-05-9 (E)Picture of molecule3D/inchi
Nikkaji Web:J43.455H
CoE Number:10551
XlogP3-AA:0.90 (est)
Molecular Weight:172.18044000
Formula:C8 H12 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:diethyl (Z)-but-2-enedioate
CAS Number: 141-05-9 (Z)Picture of molecule3D/inchi
FDA UNII:G81WQB56OL
Nikkaji Web:J5.802E
CoE Number:10551
XlogP3-AA:0.90 (est)
Molecular Weight:172.18044000
Formula:C8 H12 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
FLAVIS Number:09.351 (Old)
DG SANTE Food Flavourings:09.351 diethyl maleate
FDA Mainterm (IAUFC):141-05-9 ; ETHYL MALEATE

 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.04900 to 1.05500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.729 to 8.779
Refractive Index:1.43800 to 1.44500 @ 20.00 °C.
Melting Point: -10.00 to -8.00 °C. @ 760.00 mm Hg
Boiling Point: 218.00 °C. @ 760.00 mm Hg
Boiling Point: 91.00 to 92.00 °C. @ 1.00 mm Hg
Vapor Pressure:1.000000 mmHg @ 14.00 °C.
Vapor Density:5.93 ( Air = 1 )
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 1.449 (est)
Soluble in:
 alcohol
 water, 1.40E+04 mg/L @ 30 °C (exp)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity banana citrus
Odor Description:at 100.00 %. fruity banana citrus
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
Beijing Lys Chemicals
Diethyl Maleate
BOC Sciences
For experimental / research use only.
Diethyl Maleate 99.07 %
Charkit Chemical
DIMETHYL MALEATE
EMD Millipore
For experimental / research use only.
Diethyl Maleate
Inoue Perfumery
DIETHYL MALEATE
Kingchem Laboratories
Diethyl Maleate
Penta International
DIETHYL MALEATE
Santa Cruz Biotechnology
For experimental / research use only.
Diethylmaleate ≥97%
Sigma-Aldrich
Diethyl maleate, ≥96%, FG
Odor: banana; citrus.
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
Diethyl Maleate >90.0%(GC)
Tianjin Danjun International
Diethyl maleate
WholeChem
Diethyl maleate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M] 3200 mg/kg
(Smyth et al., 1949)

intraperitoneal-rat LD50 3070 mg/kg
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980.

oral-rat LD50 3200 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Dermal Toxicity:
skin-rabbit LD50 4 ml/kg
Union Carbide Data Sheet. Vol. 10/29/1957

skin-rat LD50 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 443, 1976.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Recommendation for diethyl maleate usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):141-05-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12201
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
diethyl but-2-enedioate
Chemidplus:0000141059
RTECS:ON1225000 for cas# 141-05-9
diethyl (E)-but-2-enedioate
diethyl (Z)-but-2-enedioate
 
References:
 diethyl but-2-enedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:141-05-9
Pubchem (cid):12201
Pubchem (sid):29280450
 diethyl (E)-but-2-enedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:141-05-9
Pubchem (cid):638144
Pubchem (sid):155519
 diethyl (Z)-but-2-enedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:141-05-9
Pubchem (cid):5271566
Pubchem (sid):10507745
 
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 Indirect Additives used in Food Contact Substances:View
CHEBI:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.19.2700
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(Z)-2-
penten-1-yl hexanoate
FL/FR
citrus
citrus
methyl heptenone
FL/FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
fermented
iso
amyl alcohol
FL/FR
2-
pentanol
FL/FR
floral
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
(E)-
geranyl acetone
FL/FR
linalyl butyrate
FL/FR
phenethyl hexanoate
FL/FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl propionate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isovalerate
FL/FR
butyl propionate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cyclohexyl acetate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
furfuryl acetate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl formate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl butyrate
FL/FR
methyl propionate
FL/FR
2-
pentanone
FL/FR
2-
pentyl butyrate
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
propyl acetate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
green
actinidia chinensis fruit extract
FL/FR
iso
amyl formate
FL/FR
cognac heptanone
FL/FR
green note propionate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
3-
octyl formate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
2-
pentyl acetate
FL/FR
waxy
iso
amyl decanoate
FL/FR
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
amyl isobutyrate
FL/FR
sec-
butyl acetate
FL
(Z)-3-
hepten-1-yl acetate
FL/FR
3-
hexenyl acetate
FL/FR
methyl (E)-2-hexenoate
FL/FR
(Z)-2-
penten-1-yl hexanoate
FL/FR
benzyl acetoacetate
FL/FR
citrus
citrus
cognac heptanone
FL/FR
dairy
2-
pentyl acetate
FL/FR
estery
furfuryl acetate
FL/FR
propyl acetate
FL/FR
ethereal
butyl acetate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
(E)-2-
octenal
FL/FR
floral
(E)-
geranyl acetone
FL/FR
linalyl butyrate
FL/FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
banana distillates
FL
benzyl acetate
FL/FR
benzyl propionate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
butyl propionate
FL/FR
butyl valerate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
furfuryl butyrate
FL
furfuryl propionate
FL
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
methyl 3-hexenoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl propionate
FL/FR
2-
pentanone
FL/FR
2-
pentyl butyrate
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
fusel
iso
amyl alcohol
FL/FR
methyl butyrate
FL/FR
green
actinidia chinensis fruit extract
FL/FR
iso
amyl formate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
green note propionate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
methyl heptenone
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
musty
2-
pentanol
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
solvent
cyclohexyl acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
iso
amyl decanoate
FL/FR
ethyl octanoate
FL/FR
3-
octyl formate
FL/FR
phenethyl hexanoate
FL/FR
 
Potential Uses:
FLalmond
FRalmond
FLapple
FRcrabapple
FLapple green apple
FLapple red apple
FLapricot
FLarrack
FLbanana
FRberry jam
FLberry mixed berry
FLblackberry
FLblueberry
FRboronia
FRboxwood berry
FLboysenberry
FRbramble arctic bramble blackberry
FLbrandy apricot brandy
FRbriar wood
FLbubble gum
FLcherry
FLcherry black cherry
FLcherry maraschino cherry
FLcherry wild cherry
FLcloudberry bakeapple
FRcurrant
FLcurrant black currant
FLcurrant red currant
FLdate
FRdavana oil replacer
FLdurian
FLelder berry
FLfig
FRfruit
 fruit dried fruit
 fruit jam
FRfruit juicy fruit
FLfruit punch
FLfruit tropical fruit
FLgooseberry
FLgrape
FLgrape concord grape
FLgrape white grape
FLgrapefruit
FLguava
FRhibiscus
FLhoneydew
FLhuckleberry
FL/FRimmortelle
FRiris blossom
FLjackfruit
 jam
FLkiwi
FLloganberry
FLlychee
FLmango
FL/FRmarigold
FLmelon
FRmelon
FLmulberry
FRmyrtle oil replacer
FL/FRorange bitter orange peel
FRosmanthus
FLpapaya
FRpassion blossom
FRpassion fruit
FLpeach
FLpear
FLpear bartlett pear
FLpear emperor pear
FLpineapple
FLplum
FLplum greengage plum
 plum jam
FRplum mirabelle plum
FLpomegranate
FLprune
FLquince
FLraisin
FLraspberry
FLraspberry black raspberry
 raspberry green raspberry
 raspberry jam
FLraspberry red raspberry
 ripe
 rose wild rose
FL/FRrue
FRstephanotis
FLstrawberry
 strawberry jam
FRtangerine
FLtutti frutti
FLwatermelon
 
Occurrence (nature, food, other):note
 fungi
Search PMC Picture
 
Synonyms:
(Z)-2-butene dioic acid diethyl ester
 diethyl but-2-enedioate
 maleic acid diethyl ester
 
 
Notes:
None found
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