ethyl butyrate
 
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IUPAC name :ethyl butanoate
InChI :InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey :OBNCKNCVKJNDBV-UHFFFAOYAO
SMILES :CCCC(=O)OCC
cas number :105-54-4
(EINECS) number :203-306-4
beilstein number :0506331
fema number :2427
coe number :264
jecfa number :29
fl. number :09.039
molar refractivity :31.62 ± 0.3 cm3
parachor :295.5 ± 4.0 cm3
index of refraction :1.397 ± 0.02
surface tension :25.8 ± 3.0 dyne/cm
density :0.886 ± 0.06 g/cm3
polarizability :12.53 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 116.1582800
formula :C6 H12 O2
BioActivity Analysis :74471
 
 
export tariff code :2915.60.0000
fda reg :182.60

Suppliers :
Advanced Biotech :ethyl butyrate
98% min. natural
Odor:  Fruity, Pineapple
Berje :Ethyl Butryate
Berje :Ethyl Butyrate
Natural
Cargill - Alfrebro :ETHYL BUTYRATE
natural, Kosher
Citrus and Allied Essences :ethyl butyrate
(natural) FCC
Citrus and Allied Essences :ethyl butyrate
FCC
Elan :ethyl butyrate
(natural), Kosher
Fleurchem :ethyl butyrate
natural
Fleurchem :ethyl butyrate
IFF :Ethyl Butyrate
≥98.00%, natural, Kosher
Mane :ethyl butyrate
Moellhausen :ethyl butyrate
98% min. nature identical kosher
Mooreganics :Ethyl Butyrat
Natural (Organic Compliant)
Oxford :ETHYL BUTYRATE
≥99.00%, NI, Kosher
Odor:  Cognac, Fruity, Sweet
Oxford :NATURAL ETHYL BUTYRATE
≥99.00%, natural, Kosher
Odor:  Cognac, Fruity, Sweet
Penta :ethyl butyrate
Penta :ethyl butyrate
natural
Polarome :ETHYL BUTYRATE
FCC
Robertet :Ethyl butyrate
naturel
Sigma-Aldrich-SAFC :Ethyl butyrate
≥98%, FCC, Kosher
Odor:  banana; ethereal; pineapple
Sigma-Aldrich-SAFC :Ethyl butyrate
≥98%, natural, FCC, Kosher
Odor:  banana; ethereal; pineapple
Symrise :Ethyl butyrate
Odor:  strong, ethery-fruity, reminiscent of banana and pineapple
Flavor:  fruity, estery, slightly buttery
Symrise :Ethyl butyrate
natural
Flavor:  fruity, estery, sweet, rum-, strawberry-like
Ungerer :Ethyl Butyrate
Vigon :Ethyl Butyrate
FCC
Odor:  FRUITY, BANANA OR PINEAPPLE-LIKE
Vigon :Ethyl Butyrate
Natural
Odor:  FRUITY, BANANA OR PINEAPPLE-LIKE

organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in propylene glycol.  
fruity juicy fruit pineapple cognac
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.87400 to 0.88200 @ 25.00 °C.
pounds per gallon - calc. : 7.273 to 7.339
specific gravity :0.87500 to 0.88300 @ 20.00 °C.
pounds per gallon - calc. : 7.289 to 7.356
refractive index :1.39000 to 1.39400 @ 20.00 °C.
melting point :-101.00 to -93.00 °C. @ 760.00 mm Hg
boiling point : 120.00 to 121.00 °C. @ 760.00 mm Hg
boiling point : 47.00 to 48.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :12.80000 mm/Hg @ 25.00 °C.
vapor density :4.0 ( Air = 1 )
flash point : 77.00  °F.  TCC  ( 25.00 °C. )
logp : 1.85
shelf life : 24.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Human experience : 5 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    13050.00  mg/kg
FCTXAV  2,327,1964

Oral-Rabbit    5228.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2000.00  mg/kg
FCTXAV  12,719,1974

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for ethyl butyrate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for ethyl butyrate usage levels up to :
  1400.0000 ppm in the flavor.

safety references :
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :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 1180
 
WGK Germany :1
 
 
 
 ethyl butanoate
(EINECS) number :203-306-4
RTECS :ET1660000 for 105-54-4
chemidplus :000105544
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :105-54-4
dtp/nci :8857

references :
 ethyl butanoate
fl. number :09.039
jecfa number :29
NIST Chemistry WebBook :5050493
pubchem :150853

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
synonyms :
 butanoic acid ethyl ester
 butyric acid ethyl ester
 butyric ester
 butyric ether
 ethyl butanoate
 ethyl N-butyrate

soluble in :
 fixed oils
 kerosene
 paraffin oil
 propylene glycol
 water, 4900 mg/L @ 20C

insoluble in :
 glycerin

(odor and/or flavor) blends with :
 allyl 10-undecenoate
 allyl 3,5,5-trimethyl hexanoate
 allyl cinnamate
 allyl cyclohexyl acetate
 allyl cyclohexyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl hexanoate
 allyl octanoate
 allyl sorbate
(E,E)-allyl sorbate
isoamyl 3-methyl thiopropionate
isoamyl acetate
isoamyl butyrate
 amyl hexanoate
isoamyl isovalerate
 amyl propionate
 apple crotonate
 benzaldehyde
 benzyl acetate
 benzyl ethyl ether
 benzyl propionate
 bergamot oil
 berry pentadienoate
 blood orange oil
 bois de rose oil
isobutyl 2-butenoate
 butyl butyrate
isobutyl butyrate
isobutyl hexanoate
isobutyl isobutyrate
 butyl isovalerate
isobutyl propionate
 butyl valerate
 camphor oil
 cinnamyl isobutyrate
 citronellyl acetate
 citrus carbaldehyde
 cyclohexyl hexanoate
 diethyl malonate
 ethyl (Z)-4-octenoate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-hexenoate
 ethyl 3-methyl valerate
 ethyl acetate
 ethyl acetoacetate
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl hexanoate
 ethyl isovalerate
 ethyl propionate
 ethyl salicylate
 furfuryl valerate
 galbanum oxyacetate
 geranyl acetate
 grapefruit oil
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl isovalerate
2,4-ivy carbaldehyde
 leaf acetal
 lime oil
 linalool
 linalyl acetate
 melon heptenal
 melon nonenoate
 methyl (Z)-4-octenoate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl 2-methyl valerate
 methyl 4-(methyl thio) butyrate
2-methyl butyl acetate
 methyl heptenone
 methyl hexanoate
 methyl isovalerate
 methyl octenoate
 neryl acetate
 octanal
 orange oil
 petitgrain oil
 phenethyl acetate
 pineapple hydroxyhexanoate
 propyl hexanoate
isopropyl hexanoate
isopropyl isobutyrate
 propyl propionate
 sorbyl propionate
 spearmint oil
 strawberry furanone
 styralyl acetate
alpha-terpinyl acetate
para-tolyl aldehyde
 tropical 3-thiobutyrate

(odor and/or flavor) used in :
 apple
 apricot
 banana
 berry
 blueberry
 bubblegum
 butter
 butterscotch
 caramel
 cheese cheddar cheese
 cheese swiss cheese
 cherry
 currant
 dairy
 eggnog
 floral
 fruit
 fruit juicy fruit
 gooseberry
 grape
 grenadine
 herbal
 honey miel
 kiwi
 lemon
 mango
 melon watermelon muskmelon cantaloupe
 mulberry
 nut pistachio
 olive
 orange
 passion fruit
 peach
 pear
 pineapple
 plum
 plum greengage plum
 plum mirabelle plum
 quince
 raspberry
 rose
 rum
 strawberry
 tutti frutti

natural occurrence in :
apple
apple juice
banana
beer
brandy
butter
data pagechampaca concrete @ 0.01%
cheese cheddar cheese
cheese gorgonzola cheese
cheese swiss cheese
cider
coffee
grape concord grape
grapefruit
data pageguava fruit headspace reunion @ 0.50%
data pageguava fruit oil reunion @ 0.10%
kiwi
mango
melon
orange juice
papaya
passion fruit
pineapple
rum
data pagestar fruit oil cuba @ trace%
strawberry
data pagetagete oil rwanda @ 0.12%
whiskey
wine white wine



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