EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

octyl isobutyrate
isobutyric acid, octyl ester

Supplier Sponsors

Name:octyl 2-methylpropanoate
CAS Number: 109-15-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-651-0
FDA UNII:T5819VWJ3T
Nikkaji Web:J99.606H
MDL:MFCD00048933
CoE Number:593
XlogP3:4.50 (est)
Molecular Weight:200.32168000
Formula:C12 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
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:192 octyl isobutyrate
FLAVIS Number:09.473 (Old)
DG SANTE Food Flavourings:09.473 octyl isobutyrate
FEMA Number:2808 octyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: OCTYL ISOBUTYRATE
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.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:0.85300 to 0.85800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.098 to 7.139
Refractive Index:1.42000 to 1.42500 @ 20.00 °C.
Boiling Point: 236.00 to 238.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.061000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.8 ( Air = 1 )
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 4.705 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, very slightly
 water, 4.064 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: waxy
Odor Strength:medium
Substantivity:43 hour(s) at 100.00 %
oily green waxy soapy clean fruity creamy
Odor Description:at 100.00 %. oily green waxy soapy clean fruity creamy
Luebke, William tgsc, (2009)
Odor sample from: Kingchem Laboratories Inc.
waxy soapy aldehydic green earthy creamy
Odor Description:Waxy, soapy, aldehydic, green, earthy, creamy
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Flavor Type: creamy
creamy waxy fruity earthy fatty
Taste Description: at 30.00 ppm. creamy, waxy, fruity, earthy, fatty
Mosciano, Gerard P&F 15, No. 2, 69, (1990)
Odor and/or flavor descriptions from others (if found).
Frutarom
OCTYL ISOBUTYRATE
Odor Description:Earthy, Fatty, Green, Soapy, Waxy
Suggested Uses Bakery, Citrus Fruits, Coconut, Dairy Products, Herbal Flavours
Taste Description:creamy waxy fruity earthy fatty faintly soapy parsley
Nactis Flavours
OCTYL ISOBUTYRATE
Odor Description:green fruity scent enhanced by aldehydic and juicy nuances reminding one of pear and coconut
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Berjé
Octyl iso Butyrate
Happening at Berje
BOC Sciences
For experimental / research use only.
Octyl Isobutyrate
Charkit Chemical
OCTYL ISOBUTYRATE FEMA 2808
Ernesto Ventós
OCTYL ISOBUTYRATE
Fleurchem
1-octyl isobutyrate natural
Frutarom
OCTYL ISOBUTYRATE
Odor: Earthy, Fatty, Green, Soapy, Waxy
Use: Suggested Uses Bakery, Citrus Fruits, Coconut, Dairy Products, Herbal Flavours
Grau Aromatics
OCTYL-iso-BUTYRATE FCC
NI, Kosher
Inoue Perfumery
OCTYL ISOBUTYRATE
Kingchem Laboratories
N OCTYL ISOBUTYRATE
Odor: Refreshing, herbaceous
Lluch Essence
OCTYL ISOBUTYRATE
Nactis Flavours
OCTYL ISOBUTYRATE
Odor: green fruity scent enhanced by aldehydic and juicy nuances reminding one of pear and coconut
Penta International
OCTYL ISOBUTYRATE, Kosher
R C Treatt & Co Ltd
Octyl Isobutyrate
Reincke & Fichtner
Octyl Isobutyrate
SRS Aromatics
OCTYL ISO BUTYRATE FCC
Synerzine
Octyl Isobutyrate
Taytonn
Octyl Isobutyrate
Odor: Earthy, Fatty, Green, Soapy, Waxy
Vigon International
Octyl Isobutyrate FCC
 
Safety Information:
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.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Levenstein, 1974)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 893, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 893, 1975.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for octyl isobutyrate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 9.40 (μg/capita/day)
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: 3
 average usual ppmaverage maximum ppm
baked goods: -3.50000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.50000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.40000
fruit ices: -2.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):109-15-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61024
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octyl 2-methylpropanoate
Chemidplus:0000109159
RTECS:UA2466375 for cas# 109-15-9
 
References:
 octyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-15-9
Pubchem (cid):61024
Pubchem (sid):135018433
Pherobase:View
 
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):HMDB34137
FooDB:FDB012412
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
aldehydic specialty
FR
dodecanal (aldehyde C-12 lauric)
FL/FR
lily pentanal
FR
2-
methyl undecanal dimethyl acetal
FR
undecanal
FL/FR
undecenal mixture (aldehyde C-11 mixed)
FL/FR
balsamic
iso
amyl benzoate
FL/FR
bornyl formate
FL/FR
citrus
(E)-2-
tetradecenal
FL/FR
10-
undecen-1-ol
FL/FR
valencene
FL/FR
coconut
delta-
heptalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
1-
nonen-3-ol
FL/FR
1-
octen-3-ol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
decanoic acid
FL/FR
ethyl undecylenate
FL/FR
methyl 10-undecenoate
FL/FR
4-
methyl octanoic acid
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
citronellyl butyrate
FL/FR
dimethyl octanol
FL/FR
gardenia pentyl acetate
FR
geraniol
FL/FR
geranyl acetate
FL/FR
herbal pyran
FR
hexyl 2-furoate
FL/FR
hydroxycitronellal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
jasmin cyclopentanol
FR
jasmin pyranone
FL/FR
jasmopyrane (Givaudan)
FR
methyl jasmonate
FL/FR
muguet butanal
FR
nerolidol
FL/FR
octyl acetate
FL/FR
2-
phenyl propyl acetate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
amyl formate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl 2-decenoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl octanoate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl propionate
FL/FR
decyl butyrate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl hexanoate
FL/FR
grape butyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
3-
hexanone
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
nerolidyl isobutyrate
FR
2-
nonanone
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
pear valerate
FR
2-
pentyl furan
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
green
agrumen aldehyde
FR
citrus carbaldehyde / methyl anthranilate schiff's base
FR
coriander heptenol
FL/FR
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
heptyl formate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl octanoate
FL/FR
hexyl phenyl acetate
FL/FR
melon nonenoate
FL/FR
2-(2-
methyl allyl oxy) heptane
FR
6-
methyl-3-hepten-2-one
FL/FR
neryl butyrate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E)-3-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
3-
octyl formate
FL/FR
olive oil absolute
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde ethylene glycol acetal
FR
1-
phenyl-2-pentanol
FL/FR
privet dioxane
FR
violet decenol
FR
herbal
alpha-
amyl cinnamyl formate
FL/FR
chrysanthemum specialty
FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
octyl acetate
FL/FR
laevo-
perillaldehyde
FL/FR
melon
melon heptenal
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
musk
iso
ambrettolide
FL/FR
oily
butter acids
FL/FR
soapy
benzyl laurate
FL/FR
ethyl undecanoate
FL/FR
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
butyl laurate
FL/FR
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
1-
dodecanol
FL/FR
ethyl decanoate
FL/FR
ethyl laurate
FL/FR
ethyl myristate
FL/FR
ethyl octanoate
FL/FR
ethyl palmitate
FL/FR
methyl butyl phenyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
methyl octanoate
FL/FR
2-
nonanol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
octanol
FL/FR
octyl 2-methyl butyrate
FL/FR
palmitic acid
FR
phenethyl octanoate
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
woody
louro brasileiro wood oil
FR
sabinene
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamyl formate
FL/FR
bornyl formate
FL/FR
iso
butyl octanoate
FL/FR
coriander heptenol
FL/FR
(E)-
methyl geranate
FL/FR
4-
methyl pentyl 4-methyl valerate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
(E)-3-
nonen-1-ol
FL/FR
2-
phenyl propyl acetate
FL/FR
10-
undecen-1-ol
FL/FR
undecenal mixture (aldehyde C-11 mixed)
FL/FR
aromatic
aromatic
laevo-
perillaldehyde
FL/FR
astringent
2,3-
dimethyl quinoxaline
FL
cheesy
2-
nonanone
FL/FR
citrus
valencene
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
butter fat enzyme modified with added butyric acid
FL
jasmin pyranone
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
1-
nonen-3-ol
FL/FR
ethereal
benzyl laurate
FL/FR
fatty
butter acids
FL/FR
(Z)-
dairy lactone
FL/FR
dimethyl octanol
FL/FR
ethyl undecylenate
FL/FR
(E,E)-2,4-
heptadienal
FL
heptyl formate
FL/FR
4-
methyl octanoic acid
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
2-
tridecanone
FL/FR
floral
geraniol
FL/FR
methyl jasmonate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
amyl formate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl 2-decenoate
FL/FR
butyl hexanoate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl propionate
FL/FR
decyl butyrate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl hexanoate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
hexanal propylene glycol acetal
FL/FR
3-
hexanone
FL/FR
hexyl phenyl acetate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
phenethyl octanoate
FL/FR
1-
phenyl-2-pentanol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
green
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl acetate
FL/FR
grape butyrate
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-furoate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl octanoate
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl octanoate
FL/FR
nerolidol
FL/FR
neryl butyrate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E)-2-
nonen-1-ol
FL/FR
3-
octyl acetate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
sorbyl acetate
FL
lactonic
delta-
heptalactone
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
mushroom
1-
octen-3-ol
FL/FR
musk
iso
ambrettolide
FL/FR
oily
olive oil absolute
FL/FR
soapy
decanoic acid
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
spicy
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
tea
red rooibos
tea leaf distillates
FL
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
butyl laurate
FL/FR
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
ethyl decanoate
FL/FR
ethyl laurate
FL/FR
ethyl myristate
FL/FR
ethyl octanoate
FL/FR
ethyl palmitate
FL/FR
ethyl undecanoate
FL/FR
furfuryl octanoate
FL
hydroxycitronellal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
methyl 10-undecenoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
octanol
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl acetate
FL/FR
octyl butyrate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
(E)-2-
tetradecenal
FL/FR
undecanal
FL/FR
undecanoic acid
FL/FR
2-
undecanone
FL/FR
woody
sabinene
FL/FR
 
Potential Uses:
FRaldehydic
FRbutter
FRcitrus
FRcoconut
FRcream
FRcucumber
FRearth
FRfern
FRfungus
FRgrape
FRgreen
FRhop
 melon watermelon muskmelon cantaloupe
FL/FRparsley leaf
 parsnip
FRrose
FRsoapy sandalwood moss
 
Occurrence (nature, food, other):note
 grapefruit juice
Search Trop Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ 1.30%
Data GC Search Trop Picture
 hop oil
Search Trop Picture
 
Synonyms:
 acetyl 2-methyl propanoate
isobutyric acid octyl ester
isobutyric acid, octyl ester
 caprylyl isobutyrate
2-methyl propanoic acid acetyl ester
2-methyl propanoic acid octyl ester
 octyl 2-methyl propanoate
 octyl 2-methylpropanoate
 octyl iso butyrate
N-octyl isobutyrate
N octyl isobutyrate
 octyl isobutyrate FCC
1-octyl isobutyrate natural
 octyl-iso-butyrate FCC
 propanoic acid, 2-methyl-, octyl ester
 propionic acid, 2-methyl-, octyl ester
 
 
Notes:
Used in food flavouring
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