ethyl decanoate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
jecfa number :35
fl. number :09.059
molar refractivity :59.41 ± 0.3 cm3
parachor :534.3 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :29.0 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :23.55 ± 0.5 10-24cm3
XlogP : 4.90
molecular weight : 200.3177600 (IUPAC)
formula :C12 H24 O2
BioActivity Analysis :74523
NMR Predictor :Predict
 
 
export tariff code :2915.90.0000
fda reg :172.515

Suppliers :
Advanced Biotech :ethyl caprate
98% min. natural
Odor:  Brandy
Berje :Ethyl Caprate
(Decylate)
Cargill - Alfrebro :ETHYL DECANOATE (EU NAT)
natural, Kosher
Cargill - Alfrebro :ETHYL DECANOATE ex Fusel Oil (EU NAT)
natural, Kosher
Cargill - Alfrebro :ETHYL DECANOATE
natural, Kosher
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
Frutarom :NATURAL ETHYL DECANOATE (ETHYL CAPRATE)
≥98.00%, natural, Kosher
Odor:  Alcoholic, Fruity, Oily, Sweet, Waxy
Mane :ethyl caprate
Mooreganics :Ethyl Caprate (Decanoate)
Natural (Organic Compliant)
Penta :ethyl caprate
natural
Penta :ethyl caprinate
Sigma-Aldrich-SAFC :Ethyl decanoate
≥98%, FCC, Kosher, FG
Odor:  grape; oily; pear
Sigma-Aldrich-SAFC :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 :¹
at 100.00 %.  
sweet waxy fruity apple grape oily brandy
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :44  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86300 to 0.86800 @ 25.00 °C.
pounds per gallon - calc. : 7.181 to 7.223
refractive index :1.42400 to 1.42700 @ 20.00 °C.
melting point : -20.00 °C. @ 760.00 mm Hg
boiling point : 241.00 to 245.00 °C. @ 760.00 mm Hg
boiling point : 118.00 to 121.00 °C. @ 15.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.03100 mm/Hg @ 25.00 °C.
vapor density :6.8 ( Air = 1 )
flash point : 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 :
 
recommendation for ethyl decanoate usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for ethyl decanoate 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
(EINECS) number :203-761-9
RTECS :HD9420000 for 110-38-3
chemidplus :000110383
EPA Substance Registry Services :110-38-3
dtp/nci :8909

references :
 ethyl decanoate
fl. number :09.059
jecfa number :35
NIST Chemistry WebBook :4200528020
pubchem :151166

Cosmetics :
Cosmetic uses : emollients
perfuming agents
skin conditioning

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 capric acid ethyl ester
 decanoic acid ethyl ester
 ethyl caprate
 ethyl caprinate
 ethyl decylate

soluble in :
 alcohol
 fixed oils
 water, 15.9 mg/L @ 25C

insoluble in :
 glycerin
 propylene glycol

(odor and/or flavor) blends with :
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
 allyl propionate
 amyl 2-methyl butyrate
isoamyl acetoacetate
isoamyl alcohol
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl laurate
 amyl octanoate
isoamyl tiglate
isoamyl valerate
2-amyl-5 or 6-keto-1,4-dioxane
 apple ketal
 benzaldehyde dimethyl acetal
 benzyl isovalerate
 benzyl propionate
 butyl acetoacetate
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
isobutyl anthranilate
 butyl decanoate
isobutyl decanoate
 butyl formate
 butyl heptanoate
 butyl hexanoate
 butyl isovalerate
isobutyl isovalerate
isobutyl methyl anthranilate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cinnamyl anthranilate
 cognac oil green
 cognac oil white
 curacao peel oil
 cyclohexyl butyrate
 cyclohexyl isovalerate
(E)-alpha-damascone
(Z)-alpha-damascone
alpha-damascone
gamma-damascone
3-decanone
(Z)-4-decen-1-ol
3-decen-2-one
 decyl butyrate
 decyl propionate
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dihydronootkatone
 dimethyl anthranilate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl 2-methyl butyrate
 ethyl 3-methyl valerate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl butyrate
 ethyl chrysanthemate
 ethyl cyclopentenolone
 ethyl formate
 ethyl heptanoate
 ethyl isovalerate
 ethyl methyl mercaptopropionate
 ethyl nonanoate
 ethyl octanoate
 ethyl palmitate
 ethyl propionate
 ethyl undecanoate
 ethyl undecylenate
 ethyl valerate
2-ethyl-4-butanol
 farnesyl acetone
 fig crotonate
 fruity ketal
 furfuryl butyrate
1-furfuryl pyrrole
 galbanum ketone
 geranyl acetoacetate
(E)-geranyl acetone
 geranyl hexanoate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 grape butyrate
4-heptanone
 heptyl 2-methyl butyrate
 heptyl octanoate
 hexanal diethyl acetal
2-hexanol
3-hexanone
(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 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl anthranilate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(Z)-3-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 nonanoate
 hexyl phenyl acetate
 lime oil distilled terpeneless
 marine formate
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl anthranilate
 methyl butyl phenyl acetate
 methyl butyrate
 methyl citronellate
 methyl decanoate
 methyl formyl anthranilate
 methyl hydrocinnamate
 methyl isovalerate
 methyl nonanoate
 methyl undecanoate
 methyl valerate
2-methyl-1-butanol
4-methyl-2-penten-1-al
 neryl butyrate
(Z,Z)-3,6-nonadien-1-ol
(E)-2-nonen-1-yl acetate
 nonyl isovalerate
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 octyl butyrate
 orange oil bitter
2-pentanone
(E)-2-penten-1-al
 petitgrain mandarin oil
 phenethyl senecioate
 phytyl acetate
 pineapple heptadienone 10%
 propionaldehyde
 propyl heptanoate
isopropyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 propyl tiglate
 rose oil
 rum ether
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
(E)-2-tridecen-1-yl acetate
2-undecanone
 waxy lactone

(odor and/or flavor) used in :
 apple
 beer
 brandy
 butter
 butterscotch
 cognac
 cream
 emollients
 floral
 grape
 melon watermelon muskmelon cantaloupe
 nut
 orange
 pineapple
 plum
 rum
 skin conditioning

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



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