diethyl 1-malate
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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
parachor :414.0 ± 4.0 cm3
index of refraction :1.446 ± 0.02
surface tension :39.2 ± 3.0 dyne/cm
density :1.149 ± 0.06 g/cm3
polarizability :17.50 ± 0.5 10-24cm3
molecular weight : 190.1937600
formula :C8 H14 O5
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :diethyl malate
Sigma-Aldrich-SAFC :Diethyl malate
≥97%

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 - calc. : 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 :
 
recommendation for diethyl 1-malate usage levels up to :
  5.0000 % in the fragrance concentrate.

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

(odor and/or flavor) blends with :
 allyl heptanoate
 allyl nonanoate
 allyl propionate
 amyl 2-methyl butyrate
isoamyl acetoacetate
 amyl isobutyrate
 amyl isovalerate
isoamyl laurate
 amyl octanoate
isoamyl tiglate
isoamyl valerate
2-amyl-5 or 6-keto-1,4-dioxane
 apple ketal
 benzyl isovalerate
 benzyl propionate
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl heptanoate
 butyl hexanoate
 butyl isovalerate
isobutyl isovalerate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cognac oil green
 cognac oil white
 cyclohexyl butyrate
 cyclohexyl isovalerate
(E)-alpha-damascone
(Z)-alpha-damascone
alpha-damascone
gamma-damascone
3-decen-2-one
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-methyl butyrate
 ethyl 3-methyl valerate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl decanoate
 ethyl heptanoate
 ethyl isovalerate
 ethyl methyl mercaptopropionate
 ethyl nonanoate
 ethyl octanoate
 ethyl valerate
2-ethyl-4-butanol
 farnesyl acetone
 fruity ketal
 galbanum ketone
 geranyl acetoacetate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 grape butyrate
 heptyl 2-methyl butyrate
 hexanal diethyl acetal
2-hexanol
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl phenyl acetate
 marine formate
 melon valerate
 methyl butyrate
 methyl citronellate
 methyl decanoate
 methyl hydrocinnamate
 methyl isovalerate
 methyl nonanoate
 methyl valerate
2-methyl-1-butanol
 nonyl isovalerate
2-pentanone
(E)-2-penten-1-al
 phenethyl senecioate
 pineapple heptadienone 10%
 propionaldehyde
 propyl heptanoate
isopropyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 propyl tiglate
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate

(odor and/or flavor) used in :
 apple
 apple blossom
 crabapple blossom
 herbal
 tea
 wine

natural occurrence in :
not found in nature



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