ethyl pyruvate
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IUPAC name :ethyl 2-oxopropanoate
InChI :InChI=1/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
InChIKey :XXRCUYVCPSWGCC-UHFFFAOYAM
SMILES :CCOC(=O)C(=O)C
cas number :617-35-6
(EINECS) number :210-511-2
beilstein number :1071466
fema number :2457
coe number :430
jecfa number :938
fl. number :09.442
molar refractivity :27.01 ± 0.3 cm3
parachor :260.8 ± 4.0 cm3
index of refraction :1.399 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :1.039 ± 0.06 g/cm3
polarizability :10.71 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 116.1152200
formula :C5 H8 O3
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515

Suppliers :
Advanced Biotech :ethyl pyruvate
95% min. natural
Odor:  Caramel
Fleurchem :ethyl pyruvate
natural
Inoue :ETHYL PYRUVATE
Penta :ethyl pyruvate
Sigma-Aldrich-SAFC :Ethyl pyruvate
≥97%, FG
Odor:  green; vegetable; balsamic
Sigma-Aldrich-SAFC :Ethyl pyruvate
≥95%, natural
Odor:  green; vegetable; balsamic

organoleptics :
odor type :ethereal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
ether fruity sweet sharp rum vegetable caramel

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04400 to 1.06500 @ 25.00 °C.
pounds per gallon - calc. : 8.687 to 8.862
refractive index :1.40300 to 1.40900 @ 20.00 °C.
melting point : -50.00 °C. @ 760.00 mm Hg
boiling point : 144.00 °C. @ 760.00 mm Hg
boiling point : 66.00 °C. @ 18.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point : 114.00  °F.  TCC  ( 45.56 °C. )
logP (o/w) : -0.47
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
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) :0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :20.00 (μg/capita/day)
 
recommendation for ethyl pyruvate usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for ethyl pyruvate usage levels up to :
  150.0000 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
ClinicalTrials.gov :search
Daily Med :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :3
 
 
 
 ethyl 2-oxopropanoate
(EINECS) number :210-511-2
chemidplus :000617356
EPA Substance Registry Services :617-35-6
dtp/nci :48386

references :
 ethyl 2-oxopropanoate
fl. number :09.442
jecfa number :938
NIST Chemistry WebBook :4287415135
pubchem :155354

Cosmetics :
Cosmetic uses : skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ethyl 2-oxopropanoate
 ethyl 2-oxopropionate
 ethyl acetyl formate
 ethyl alpha-ketopropionate
 ethyl pyroracemate
2-oxo-propanoic acid ethyl ester
 pyruvic acid ethyl ester

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal
 acetaldehyde
 acetaldehyde diisoamyl acetal
2-acetyl-3-methyl pyrazine
 allyl hexanoate
 allyl phenyl acetate
 amyl formate
 amyl heptanoate
isoamyl pyruvate
 asafetida oil
 benzothiazole
 benzyl methyl ether
 berry pentadienoate
isobutyl acetate
isobutyl butyrate
 butyl formate
isobutyl formate
isobutyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 cortex pyridine
 cyclohexanone diethyl acetal
 cyclopentyl mercaptan
 decyl propionate
3,5-diethyl-2-methyl pyrazine
 dihydroxyacetophenone
 diisopropyl sulfide
 dimethyl disulfide
 dimethyl sulfide
4,5-dimethyl-2-ethyl-3-thiazoline
2-ethoxythiazole
 ethyl (E)-2-hexenoate
 ethyl (E)-crotonate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-(furfuryl thio) propionate
 ethyl 4-pentenoate
 ethyl acetate
2-ethyl butyl acetate
2-ethyl butyraldehyde
 ethyl cyclopentenolone
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl propionate
2-ethyl-4,5-dimethyl oxazole
 fruity carboxylate
 furfuryl methyl sulfide
1-furfuryl pyrrole
 geranium thiazole
 geranyl methyl tiglate
 grapefruit menthane
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-al
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
2-heptenoic acid
 heptyl acetate
 hexanal propylene glycol acetal
3-hexanone
(E)-4-hexen-1-al
2-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
(E)-2-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl lactate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
(Z)-3-hexen-1-yl tiglate
1-hexen-3-ol
1-hexen-3-yl acetate
 hexyl hexanoate
 linalyl propionate
 lychee mercaptan acetate
 mango furanone
 melon nonenoate
3-mercapto-3-methyl butanol
3-mercaptohexyl butyrate
 mesityl oxide
 methional
 methyl 2-methyl-3-furyl disulfide
 methyl 3-(methyl thio) propionate
 methyl acetate
2-methyl allyl butyrate
 methyl benzyl disulfide
3-methyl butyl 2-furyl butyrate
 methyl ethyl ketone
 methyl furfuryl disulfide
 methyl octanoate
 methyl propionate
2-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
S-(methyl thio) hexanoate
3-(methyl thio) hexanol
 methyl thiomethyl butyrate
 methyl tiglate
2-methyl valeraldehyde
2-methyl-1,3-dithiolane
3-(5-methyl-2-furyl) butanal
2-methyl-3-(methyl thio) pyrazine
5-methyl-5-hexen-2-one
2-methyl-5-methoxythiazole
2,6-nonadien-1-ol
(Z)-6-nonen-1-ol
2,4-octadien-1-al
 octanoic acid
2-octen-1-ol
1-octen-3-ol
(E)-2-octenoic acid
2-pentanone
(Z)-2-penten-1-ol
4-penten-1-yl acetate
1-penten-3-ol
2-pentyl furan
2-phenyl propyl butyrate
 potato butanone
 prenyl formate
isopropyl acetate
isopropyl butyrate
 propyl formate
isopropyl propionate
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 pyruvaldehyde
 radish isothiocyanate
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
3-tetrahydrothiophenone
2,4,5-trimethyl thiazole
 tropical thiazole
 vanillyl isobutyrate
 vinyl sulfurol
 yeast thiazoline

(odor and/or flavor) used in :
 butterscotch
 cake
 caramel
 maple
 rum
 vanilla
 wine

natural occurrence in :
brandy grape brandy
cocoa
wine white wine



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