diethyl 1-malate
Suppliers  Organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC Name - diethyl (±)-2-hydroxybutanedioate
InChI - InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
InChIKey - VKNUORWMCINMRB-UHFFFAOYAT
SMILES - CCOC(=O)CC(C(=O)OCC)O
CAS Number : 626-11-9
(EINECS) Number :210-930-0
FEMA Number :2374
Molar Refractivity :44.15 ± 0.3 cm3 (est)
Parachor :414.0 ± 4.0 cm3 (est)
Index of Refraction :1.446 ± 0.02 (est)
Surface Tension :39.2 ± 3.0 dyne/cm (est)
Density :1.149 ± 0.06 g/cm3 (est)
Polarizability :17.50 ± 0.5 10-24cm3 (est)
Molecular Weight : 190.1937600 (IUPAC) (PT) (112)
Formula :C8 H14 O5
NMR Predictor :Predict
 
 
Category :flavoring agents

Suppliers :
Penta :diethyl malate

Organoleptics :
Odor Type :fruity
Odor Strength :medium
Odor Description:
at 100.00 %.  
wine fruity apple skin

Properties :
Appearence :colorless clear liquid
Assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.12700 to 1.13000 @ 25.00 °C.
Pounds per Gallon - est. : 9.378 to 9.403
Refractive Index :1.43200 to 1.43700 @ 20.00 °C.
Boiling Point : 122.00 to 124.00 °C. @ 12.00 mm Hg
Flash Point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 0.23

Safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavoring agents
 
Recommendation for diethyl 1-malate fragrance usage levels up to :
 not for fragrance use.

Safety References :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
diethyl (±)-2-hydroxybutanedioate
(EINECS) Number :210-930-0
Chemidplus :000626119
EPA Substance Registry Services :626-11-9

References :
 
diethyl (±)-2-hydroxybutanedioate
NIST Chemistry WebBook :2455155764
Pubchem :679917

Other :
Synonyms :
 diethyl (±)-malate
 diethyl (±)-2-hydroxybutane dioate
 diethyl (±)-2-hydroxybutanedioate
 diethyl hydroxysuccinate
 ethyl 1-malate
dextro-ethyl malate

Soluble in :
 alcohol
 water

Potential Blenders :    note
 allyl heptanoateFL/FR
 allyl nonanoateFL/FR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl laurateFL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
isoamyl valerateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl acetoacetateFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 butyl undecylenateFL/FR
isobutyraldehyde propylene glycol acetalFL
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
3-decen-2-oneFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl aconitateFL
 ethyl chrysanthemateFR
 ethyl decanoateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl valerateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
 fruity ketalFL/FR
 galbanum ketoneFR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
(Z)-3-hexen-1-al diethyl acetalFL/FR
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 marine formateFR
 melon valerateFL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl decanoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL
 methyl valerateFL/FR
2-methyl-1-butanolFL/FR
 nonyl isovalerateFL/FR
2-pentanoneFL/FR
(E)-2-penten-1-alFL/FR
 phenethyl senecioateFL/FR
 pineapple heptadienone 10%FR
 propionaldehydeFL
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
 sorbyl butyrateFL/FR
 sorbyl propionateFL
 terpinyl cinnamateFL/FR

Potential Uses :
 appleFL
 apple blossom 
 crabapple blossom 
 herbalFL
 tea 
 wineFL

Natural Occurrence in :    note
 not found in nature  



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/29/2010