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1-octen-3-yl butyrate
oct-1-en-3-yl butyrate

Supplier Sponsors

Name:oct-1-en-3-yl butanoate
CAS Number: 16491-54-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-555-8
FDA UNII:H8J989X4KJ
Nikkaji Web:J67.416H
Beilstein Number:1935498
MDL:MFCD00036582
XlogP3-AA:4.00 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2016)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1837 1-octen-3-yl butyrate
FLAVIS Number:09.282 (Old)
DG SANTE Food Flavourings:09.282 oct-1-en-3-yl butyrate
FEMA Number:3612 1-octen-3-yl butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1-OCTEN-3-YL BUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:0.86300 to 0.87000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.181 to 7.239
Refractive Index:1.42400 to 1.43100 @ 20.00 °C.
Boiling Point: 225.00 to 227.00 °C. @ 760.00 mm Hg
Boiling Point: 80.00 to 81.00 °C. @ 3.50 mm Hg
Vapor Pressure:0.024000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.8 ( Air = 1 )
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 4.500 (est)
Soluble in:
 alcohol
 fixed oils
 water, 5.441 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: mushroom
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 8 hour(s) at 100.00 %
fruity mushroom buttery
Odor Description:at 10.00 % in dipropylene glycol. fruity mushroom butter
Flavor Type: mushroom
mushroom
Taste Description: mushroom
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
1-OCTEN-3-YL BUTYRATE ≥97.0%, FCC, Kosher
Odor Description:A pleasant mushroom, buttery aroma
Can lend a pleasant fatty, earthy note to fragrances.
Taste Description:mushroom
Mostly used in mushroom flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
1-OCTEN-3-YL BUTYRATE
≥97.0%, FCC, Kosher
Odor: A pleasant mushroom, buttery aroma
Use: Can lend a pleasant fatty, earthy note to fragrances.
Flavor: mushroom
Mostly used in mushroom flavors.
Beijing Lys Chemicals
1-Octen-3-yl Butyrate
BOC Sciences
For experimental / research use only.
1-OCTEN-3-YL BUTYRATE FCC 97.0%
Penta International
1-OCTEN-3-YL BUTYRATE, Kosher
Sigma-Aldrich
1-Octen-3-yl butyrate, ≥97%, stabilized, FCC, FG
Odor: butter; musty; strawberry; vegetable; fishy; earthy; animal; waxy
Certified Food Grade Products
Synerzine
1-Octen-3-yl Butyrate
Tengzhou Xiang Yuan Aroma Chemicals
1-Caprylene-yl butyrate
WholeChem
1-Octen-3-yl butyrate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 3424 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 1-octen-3-yl butyrate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 12
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: -5.00000
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: -1.00000
fish products: --
frozen dairy: -3.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -3.00000
imitation dairy: -2.00000
instant coffee / tea: --
jams / jellies: -1.00000
meat products: --
milk products: -2.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.00000
soups: --
sugar substitutes: -2.00000
sweet sauces: -1.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA
View page or View pdf

Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):16491-54-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :27892
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
oct-1-en-3-yl butanoate
Chemidplus:0016491546
RTECS:ET7030000 for cas# 16491-54-6
 
References:
 oct-1-en-3-yl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:16491-54-6
Pubchem (cid):27892
Pubchem (sid):134993013
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37498
FooDB:FDB016573
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
1-
hydroxy-2-butanone
FL/FR
creamy
butyl lactate
FL/FR
waxy lactone
FL/FR
earthy
dibenzyl ether
FL/FR
2-
ethyl fenchol
FL/FR
mushroom absolute
FL/FR
mushroom resinoid
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
2-
octanone
FL/FR
3-
octen-2-one
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
fatty
butyl undecylenate
FL/FR
(E)-2-
decenal
FL/FR
2-
nonenal
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
benzyl lactate
FL/FR
6,8-
dimethyl-2-nonanol
FR
herbal pyran
FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
nonyl octanoate
FL/FR
octyl acetate
FL/FR
phenethyl butyl ether
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
fruity
acetoin acetate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
hexyl (E)-tiglate
FL/FR
octyl propionate
FL/FR
prenyl isobutyrate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
black
truffle whole plant oil
FL/FR
green
allyl phenethyl ether
FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
methyl heptine carbonate
FL/FR
(Z)-5-
octen-1-ol
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
1-
octen-3-yl acetate
FL/FR
honey
phenethyl furoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
2,4,5-
trimethyl oxazole
FL/FR
soapy
ethyl undecanoate
FL/FR
sulfurous
2-
methyl 5-(methyl thio) furan
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
ethyl octanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
woody
sclareolide
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
3-(
methyl thio) hexanal
FL
tris(
methyl thio) methane
FL
nonyl octanoate
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
alliaceous
1,3-
butane dithiol
FL
3-
tetrahydrothiophenone
FL
balsamic
(E)-
benzyl tiglate
FL/FR
brown
1-
hydroxy-2-butanone
FL/FR
burnt
2,4,5-
trimethyl oxazole
FL/FR
buttery
butyl laevo-lactate
FL/FR
butyroin
FL
diacetyl
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
methyl 2-furoate
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
difurfuryl ether
FL
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
6-
amyl-alpha-pyrone
FL/FR
butyl butyryl lactate
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
jasmin pyranone
FL/FR
3-
octen-2-one
FL/FR
waxy lactone
FL/FR
dairy
butyl lactate
FL/FR
2-
octanone
FL/FR
earthy
1-
decen-3-ol
FL/FR
difurfuryl sulfide
FL
2-
ethyl fenchol
FL/FR
1-
hexen-3-yl acetate
FL
(±)-2-
mercapto-5-methylheptan-4-one
FL
mushroom absolute
FL/FR
mushroom distillates
FL
mushroom extenders
FL
portabello
mushroom flavor
FL
sauteed
mushroom flavor
FL
porcini
mushroom flavor
FL
mushroom flavor
FL
mushroom oil
FL
mushroom resinoid
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
estery
octyl propionate
FL/FR
fatty
diacetyl trimer
FL
dimethyl sulfoxide
FL
2-
nonenal
FL/FR
(E,E)-2,4-
undecadienal
FL
fermented
methyl thio isovalerate
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
dibenzyl ether
FL/FR
ethyl lactate
FL/FR
methionyl butyrate
FL
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
fungal
mushroom concentrate natural
FL
white
truffle flavor
FL
black
truffle flavor
FL
black
truffle whole plant oil
FL/FR
green
dihydroxyacetophenone (mixed isomers)
FL
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl (E)-tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
methyl heptine carbonate
FL/FR
(Z)-5-
octen-1-ol
FL/FR
1-
octen-3-yl acetate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
mushroom
methional diethyl acetal
FL
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-ol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
3-
octanol
FL/FR
nutty
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
seafood
1,4-
dithiane
FL
sour
butyric acid
FL/FR
sulfurous
1-(
methyl thio)-2-butanone
FL
2-
naphthyl mercaptan
FL
potato butanone
FL
toasted
acetyl propionyl
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
butyl undecylenate
FL/FR
(E)-2-
decenal
FL/FR
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
woody
sclareolide
FL/FR
 
Potential Uses:
FRbanana
FRbutter
FRearth
FRfruit
FRfungus
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 passion fruit
Search Trop Picture
 
Synonyms:
 amylvinylcarbinyl butyrate
 butanoic acid ethenylhexyl ester
 butanoic acid, 1-ethenylhexyl ester
 butyric acid, 1-pentylallyl ester
 butyric acid, 1-vinylhexyl ester
1-ethenylhexyl butanoate
 oct-1-en-3-yl butanoate
 oct-1-en-3-yl butyrate
1-octen-3-ol butyrate
1-octen-3-ylbutyrate
1-pentyl allyl butyrate
1-pentylallyl butyrate
1-vinyl hexyl butyrate
1-vinylhexyl butyrate
 
 
Notes:
Flavouring ingredient
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