diethyl laevo-tartrate
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IUPAC name :diethyl 2,3-dihydroxybutanedioate
InChI :InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3
InChIKey :YSAVZVORKRDODB-UHFFFAOYAJ
SMILES :CCOC(=O)C(C(C(=O)OCC)O)O
cas number :87-91-2
(EINECS) number :201-783-3
beilstein number :1727145
fema number :2378
coe number :440
jecfa number :622
fl. number :09.446
XlogP : -0.80
molecular weight : 206.1931600 (IUPAC)
formula :C8 H14 O6
BioActivity Analysis :74492
NMR Predictor :Predict
 
 
IUPAC name :diethyl (2R,3R)-2,3-dihydroxybutanedioate
InChI :InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey :YSAVZVORKRDODB-PHDIDXHHBX
SMILES :CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O
cas number :87-91-2  (RR)
XlogP : -0.80
molecular weight : 206.1931600 (IUPAC)
formula :C8 H14 O6
NMR Predictor :Predict
 
 
IUPAC name :diethyl (2R,3S)-2,3-dihydroxybutanedioate
InChI :InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6+
InChIKey :YSAVZVORKRDODB-OLQVQODUBZ
SMILES :CCOC(=O)[C@@H]([C@@H](C(=O)OCC)O)O
cas number :87-91-2  (RS)
XlogP : -0.80
molecular weight : 206.1931600 (IUPAC)
formula :C8 H14 O6
NMR Predictor :Predict
 
 
IUPAC name :diethyl (2S,3S)-2,3-dihydroxybutanedioate
InChI :InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey :YSAVZVORKRDODB-WDSKDSINBN
SMILES :CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O
cas number :13811-71-7
(EINECS) number :237-458-8
XlogP : -0.80
molecular weight : 206.1931600 (IUPAC)
formula :C8 H14 O6
NMR Predictor :Predict
 
 
export tariff code :2918.13.0000
fda reg :172.515
Suppliers :
Advanced Biotech :diethyl tartrate
98% min. natural
Inoue :DIETHYL TARTARATE
Penta :diethyl laevo-tartrate
Sigma-Aldrich-SAFC :Diethyl L-tartrate
≥99%
organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  		mild fruity wine
properties :
appearence :colorless clear oily liquid
assay : 99.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.00400 to 1.20400 @ 25.00 °C.
pounds per gallon - calc. : 8.354 to 10.018
refractive index :1.44600 to 1.44800 @ 20.00 °C.
boiling point : 280.00 to 281.00 °C. @ 760.00 mm Hg
boiling point : 153.00 °C. @ 12.00 mm Hg
vapor pressure :0.00016 mm/Hg @ 25.00 °C.
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : -0.29
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :760.00 (μg/capita/day)
 
recommendation for diethyl laevo-tartrate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for diethyl laevo-tartrate usage levels up to :
  200.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 diethyl 2,3-dihydroxybutanedioate
(EINECS) number :201-783-3
chemidplus :000087912
EPA Substance Registry Services :87-91-2
dtp/nci :8878
 diethyl (2R,3R)-2,3-dihydroxybutanedioate
 diethyl (2R,3S)-2,3-dihydroxybutanedioate
 
 
 diethyl (2S,3S)-2,3-dihydroxybutanedioate
(EINECS) number :237-458-8
chemidplus :013811717
EPA Substance Registry Services :13811-71-7
references :
 diethyl 2,3-dihydroxybutanedioate
fl. number :09.446
jecfa number :622
NIST Chemistry WebBook :3598418286
pubchem :203613
 diethyl (2R,3R)-2,3-dihydroxybutanedioate
NIST Chemistry WebBook :3523558413
pubchem :43595926
 diethyl (2R,3S)-2,3-dihydroxybutanedioate
pubchem :43760394
 diethyl (2S,3S)-2,3-dihydroxybutanedioate
pubchem :694062
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 diethyl (+)-tartrate
 diethyl (2R,3R)-tartrate
 diethyl (R,R)(+)tartrate
 diethyl 1,2-dihydroxy-1,2-ethane dicarboxylate
 diethyl 2,3-dihydroxybutane dioate
 diethyl 2,3-dihydroxybutanedioate
 diethyl 2,3-dihydroxysuccinate
(+)-diethyl laevo-tartrate
 diethyl tartrate
 diethyl tartratene
 diethyl-laevo-tartrate
 ethyl tartrate
(R,R)-tartaric acid diethyl ester
soluble in :
 alcohol
 oils
 water, 71900 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl 3-methyl thiopropionate
isoamyl acetoacetate
isoamyl laurate
 amyl octanoate
isoamyl propionate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 buchu mercaptan
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cassis pentanone
 citronellyl acetate
 clary sage concrete
 cognac oil green
 cognac oil white
 diethyl 1-malate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
 farnesyl acetone
 geranyl acetoacetate
 geranyl methyl tiglate
 heptanal dimethyl acetal
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
 maltyl isobutyrate
 methyl 2-(methyl thio) butyrate
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
 methyl thiomethyl butyrate
2-methyl-1-butanol
2-octen-4-one
 passiflora acetate
2-pentanone
1-penten-3-ol
 phenethyl acetate
 phenethyl senecioate
 propionaldehyde
 propyl heptanoate
 propyl isobutyrate
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
 viridiflorol
(odor and/or flavor) used in :
 fruit
natural occurrence in :
found in nature



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