ethyl decanoate
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IUPAC Name - ethyl decanoate
InChI - InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey - RGXWDWUGBIJHDO-UHFFFAOYAS
SMILES - CCCCCCCCCC(=O)OCC
CAS Number : 110-38-3
(EINECS) Number :203-761-9
Beilstein Number :1762128
FEMA Number :2432
COE Number :309
Molar Refractivity :59.41 ± 0.3 cm3 (est)
Parachor :534.3 ± 4.0 cm3 (est)
Index of Refraction :1.429 ± 0.02 (est)
Surface Tension :29.0 ± 3.0 dyne/cm (est)
Density :0.870 ± 0.06 g/cm3 (est)
Polarizability :23.55 ± 0.5 10-24cm3 (est)
XlogP : 4.90 (est)
Molecular Weight : 200.3177600 (IUPAC) (PT) (112)
Formula :C12 H24 O2
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Ethyl decanoate.
Fl@vouring Number : 09.059
FDA Mainterm : ETHYL DECANOATE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Advanced Biotech :ethyl caprate
98% min. natural
Odor:  Brandy
Berje :Ethyl Caprate
(Decylate)
Cargill :ETHYL DECANOATE (EU NAT)
natural, Kosher
Odor:  Sweet, Wine, Brandy
Cargill :ETHYL DECANOATE ex Fusel Oil (EU NAT)
natural, Kosher
Odor:  Sweet, Wine, Brandy
Cargill :ETHYL DECANOATE
natural, Kosher
Odor:  Sweet, Wine, Slightly Fatty, Waxy
Fleurchem :ethyl decanoate
natural
Fontarome :ETHYL CAPRATE (ETHYL DECANOATE)
Odor:  Sweet, oily-nutlike with a rich, wine-yeast type background
Frutarom :ETHYL DECANOATE (ETHYL CAPRATE)
≥99.00%, NI, Kosher
Odor:  Alcoholic, Fruity, Oily, Sweet, Waxy
Suggested Uses: Alcoholic Beverages, Apple, Butter, Cheese, Hard Fruits, Melon, Pineapple, Plum
Frutarom :NATURAL ETHYL DECANOATE (ETHYL CAPRATE)
≥98.00%, natural, Kosher
Odor:  Alcoholic, Fruity, Oily, Sweet, Waxy
Suggested Uses: Alcoholic Beverages, Apple, Butter, Cheese, Hard Fruits, Melon, Pineapple, Plum
Global Essence :ETHYL CAPRATE
Mane :ethyl caprate
Mooreganics :Ethyl Caprate (Decanoate)
Natural (Organic Compliant)
Odor:  PLEASANT, FRUITY, REMINSCENT OF GRAPE (COGNAC)
Penta :ethyl caprate
natural
Penta :ethyl caprinate
SAFC Global® :Ethyl decanoate
≥98%, FCC, Kosher, FG
Odor:  grape; oily; pear
SAFC Global® :Ethyl decanoate
≥98%, natural, FCC, Kosher
Odor:  grape; oily; pear
Ungerer :Ethyl Caprate
(Ethyl Decanoate)
Vigon :Ethyl Caprate
(Ethyl Decanoate)
Odor:  OILY, BRANDY-LIKE

Organoleptics :
Odor Type :waxy
Odor Strength :medium
Odor Description:
at 100.00 %.  
sweet waxy fruity apple grape oily brandy
Luebke, William tgsc, (1987)
Odor sample from :Fritzsche Dodge & Olcott, Inc.
Odor Description:
Sweet, waxy, fruity, apple
Mosciano, Gerard P&F 15, No. 3, 51, (1990)
Taste Description:
at 20.00 ppm.  
Waxy, fruity, sweet apple
Mosciano, Gerard P&F 15, No. 3, 51, (1990)
Substantivity :44  Hour(s)

Properties :
Appearence :colorless clear liquid
Food Chemicals Codex Listed :Yes
Vapor Pressure :0.03100 mm/Hg @ 25.00 °C.
Vapor Density :6.8 ( Air = 1 )
Flash Ppoint : 216.00  °F.  TCC  ( 102.22 °C. )
logP (o/w) : 4.96

Safety :
Most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human Experience : 2 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
 
Recommendation for ethyl decanoate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
Recommendation for ethyl decanoate flavor usage levels up to :
  25.0000 ppm in the flavor.

Safety References :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
ethyl decanoate
BioActivity Analysis :74523
(EINECS) Number :203-761-9
RTECS :HD9420000 for cas# 110-38-3
Chemidplus :000110383
EPA Substance Registry Services :110-38-3
dtp/nci :8909

References :
 
ethyl decanoate
NIST Chemistry WebBook :4200528020
Pubchem :151166
Flavornet :110-38-3

Cosmetics :
Cosmetic Uses : emollients
perfuming agents
skin conditioning

Other :
Export Tariff Code :2915.90.0000
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
 capric acid ethyl ester
 decanoic acid ethyl ester
 ethyl caprate
 ethyl caprinate
 ethyl decanoate
 ethyl decylate

Similar Products:    note
 allyl decanoate
 amyl decanoate
isoamyl decanoate
 benzyl decanoate
 butyl decanoate
isobutyl decanoate
 citronellyl decanoate
 decyl decanoate
 ethyl 2-acetyl decanoate
 furfuryl decanoate
 heptyl decanoate
(Z)-3-hexen-1-yl decanoate
 hexyl decanoate
2-methyl butyl decanoate
 methyl decanoate
 nonyl decanoate
 octyl decanoate
 phenethyl decanoate
 propyl decanoate
isopropyl decanoate
 sulfuryl decanoate

Soluble in :
 alcohol
 fixed oils
 water, 15.9 mg/L @ 25C (est)

Insoluble in :
 glycerin
 propylene glycol

Potential Blenders :    note
 allyl heptanoateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
isoamyl alcoholFL
 amyl isobutyrateFL/FR
isoamyl 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
 benzaldehyde dimethyl acetalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
 butyl decanoateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
isobutyl methyl anthranilateFL/FR
 butyl undecylenateFL/FR
isobutyraldehyde propylene glycol acetalFL
 cinnamyl anthranilate 
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
 curacao peel oilFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
3-decanoneFL/FR
(Z)-4-decen-1-olFL/FR
3-decen-2-oneFL/FR
 decyl butyrateFL/FR
 decyl propionateFL/FR
 diethyl 1-malateFL
 diethyl laevo-tartrateFL/FR
 diethyl malateFL
 diethyl sebacateFL/FR
 dihydronootkatoneFL
 dimethyl anthranilateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl aconitateFL
 ethyl butyrateFL/FR
 ethyl chrysanthemateFR
 ethyl cyclopentenoloneFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl palmitateFL/FR
 ethyl propionateFL/FR
 ethyl undecanoateFL/FR
 ethyl undecylenateFL/FR
 ethyl valerateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
 fig crotonateFR
 fruity ketalFL/FR
 furfuryl butyrateFL
1-furfuryl pyrroleFL/FR
 galbanum ketoneFR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
4-heptanoneFL/FR
 heptyl 2-methyl butyrateFL
 heptyl octanoateFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
3-hexanoneFL/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 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-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 nonanoateFL/FR
 hexyl phenyl acetateFL/FR
 lime oil distilled terpenelessFL/FR
 marine formateFR
 methyl 2-undecynoateFL
 methyl 2,4-decadienoateFL/FR
 methyl anthranilateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl decanoateFL/FR
 methyl formyl anthranilateFL/FR
 methyl hydrocinnamateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL
 methyl undecanoateFL/FR
 methyl valerateFL/FR
2-methyl-1-butanolFL/FR
4-methyl-2-penten-1-alFL
 neryl butyrateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
(E)-2-octen-1-yl acetateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 orange peel oil bitter brazilFL/FR
2-pentanoneFL/FR
(E)-2-penten-1-alFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl senecioateFL/FR
 phytyl acetateFL/FR
 pineapple heptadienone 10%FR
 propionaldehydeFL
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
 rose oil otto bulgariaFL/FR
 rum etherFL/FR
 sorbyl butyrateFL/FR
 sorbyl propionateFL
 terpinyl cinnamateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
2-undecanoneFL/FR
 waxy lactoneFL/FR

Potential Uses :
 appleFR
 beerFL
 brandyFL
 butterFR
 butterscotchFR
 cognacFR
 creamFR
 emollients 
 floralFR
 grapeFR
 melon watermelon muskmelon cantaloupe 
 nutFL
 orangeFR
 pineappleFR
 plumFR
 saffronFR
 skin conditioning 

Natural Occurrence in :    note
 apple juice  
 banana  
 beer  
data pageboronia absolute @ 0.01% S
 butter  
 caninha  
 cheese cheddar cheese  
 cherry  
 citrus fruits  
 cocoa S
 grape  
data pagemastic fruit oil @ 0.05% S
data pagemastic leaf oil @ 0.06% S
 melon  
data pageosmanthus absolute @ 0.03% S
 pear  
data pagepetitgrain mandarin oil @ trace% S
 pineapple  
data pagestar fruit oil cuba @ 1.90% S
 strawberry S
 tea  
data pagevassoura oil @ 0.20% S



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