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

octyl isovalerate
isovaleric acid, octyl ester

Supplier Sponsors

Name:octyl 3-methylbutanoate
CAS Number: 7786-58-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:232-100-7
FDA UNII:TR83HG1KKX
Nikkaji Web:J183.050C
MDL:MFCD00072183
CoE Number:446
XlogP3:4.70 (est)
Molecular Weight:214.34862000
Formula:C13 H26 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:200 octyl isovalerate
FLAVIS Number:09.451 (Old)
DG SANTE Food Flavourings:09.451 octyl isovalerate
FEMA Number:2814 octyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: OCTYL ISOVALERATE
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 clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 @ 25.00 °C.
Boiling Point: 249.00 to 251.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.024000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 5.215 (est)
Soluble in:
 alcohol
 water, 1.309 mg/L @ 25 °C (est)
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
warm floral rose honey apple pineapple
Odor Description:at 100.00 %. mild warm floral rose honey apple pineapple
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
n-OCTYL ISOVALERATE NATURAL
Odor: Fatty, Aldehyde, Apple, Pineapple
BOC Sciences
For experimental / research use only.
Octyl Isovalerate
ECSA Chemicals
Octyl Isovalerate
Company Profile
Fleurchem
1-octyl isovalerate natural
Grau Aromatics
OCTYL-iso-VALERATE
NI, Kosher
Inoue Perfumery
OCTYL ISOVALERATE
Naturamole
octyl isovalerate 98% natural EU
Penta International
OCTYL ISOVALERATE NATURAL, Kosher, Halal
Penta International
OCTYL ISOVALERATE, Kosher
Reincke & Fichtner
Octyl Isovalerate
Sigma-Aldrich
Octyl isovalerate, ≥98%, FG
Odor: honey; rose
Certified Food Grade Products
SRS Aromatics
OCTYL ISO VALERATE
Synerzine
Octyl Isovalerate
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for octyl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.20 (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: 1.000004.00000
beverages(nonalcoholic): -0.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.800001.00000
fruit ices: 0.800001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.000004.00000
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):7786-58-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :228769
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
octyl 3-methylbutanoate
Chemidplus:0007786585
 
References:
 octyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7786-58-5
Pubchem (cid):228769
Pubchem (sid):135263084
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):HMDB34140
FooDB:FDB012415
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
6,7,8-
decen-1-ol
FR
nonanal diethyl acetal
FL/FR
animal
para-
cresyl phenyl acetate
FL/FR
balsamic
callitropsis araucarioides wood oil
FR
chocolate
iso
amyl phenyl acetate
FL/FR
citrus
abronia fragrance
FR
citronella fragrance
FR
citronitrile (Symrise)
FR
fatty
methyl 10-undecenoate
FL/FR
floral
iso
amyl undecylenate
FL/FR
benzyl alcohol
FL/FR
benzyl phenyl acetate
FL/FR
butyl benzyl ether
FL/FR
citronellal
FL/FR
laevo-
citronellol
FL/FR
citronellyl anthranilate
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
damascate
FR
gamma-
damascone
FR
(Z)-alpha-
damascone
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydrocarvyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenoxyacetate
FR
ethyl phenyl acetate
FL/FR
farnesyl acetate
FL/FR
floral pyran
FR
genet concrete
FR
geranium oil egypt
FL/FR
geranium oil egypt fractions
FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium rose oil
FL/FR
geranium rose-scented oil cuba
FR
geranyl acetate
FL/FR
(E)-
geranyl linalool
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
glycoacetal
FR
hawthorn ethanol
FR
linalyl phenyl acetate
FL/FR
2-
methyl octanal
FL/FR
musk acetate
FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
neryl phenyl acetate
FR
nonanol
FL/FR
peony alcohol
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl anthranilate
FL/FR
phenethyl heptanoate
FL/FR
phenethyl lactate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl salicylate
FL/FR
phenyl acetaldehyde digeranyl acetal
FR
primrose fragrance
FR
rhodinol substitues
FL/FR
rhodinyl acetate substitutes
FL/FR
rhodinyl benzoate
FR
rosa alba flower oil CO2 extract
FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
rose absolute pentanol
FR
rose acetate
FR
rose blossom pentanol
FR
rose butanoate
FL/FR
rose carboxylate
FR
rose concrete (rosa centifolia)
FR
rose concrete (rosa damascena)
FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
rose oil replacer
FR
laevo-
rose oxide
FL/FR
rose pyran
FR
rose specialty
FR
styralyl propionate
FL/FR
(E)-2-
undecen-1-ol
FL/FR
2-
undecen-1-ol
FL/FR
fruity
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
iso
amyl hexanoate
FL/FR
benzyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(E)-beta-
damascenone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl para-methyl-beta-phenyl glycidate
FR
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
heptyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl isobutyrate
FL/FR
plum crotonate
FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
strawberry glycidate 2
FL/FR
green
iso
decanal
FL/FR
ethyl (E)-4-decenoate
FL/FR
2-
heptyl tetrahydrofuran
FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
marigold pot absolute
FL/FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
chamomile valerate
FR
laevo-
menthyl propionate
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
honey
butyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
powdery
para-
anisyl alcohol
FL/FR
dibenzyl ketone
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
maja fragrance
FR
pepper hexanone
FR
waxy
dihydrocitronellyl acetate
FL/FR
waxy acetate
FR
For Flavor
No flavor group found for these
iso
amyl undecylenate
FL/FR
butyl benzyl ether
FL/FR
citronellyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(E)-beta-
damascenone
FL/FR
(Z)-alpha-
damascone
FL/FR
iso
decanal
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
(E)-
geranyl linalool
FL/FR
3-
heptyl acetate
FL
linalyl phenyl acetate
FL/FR
laevo-
menthyl propionate
FL/FR
2-
methyl octanal
FL/FR
nonanal diethyl acetal
FL/FR
phenethyl furoate
FL/FR
phenethyl heptanoate
FL/FR
phenethyl lactate
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
rhodinyl acetate substitutes
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
beta-
damascone
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
rhodinol substitues
FL/FR
bitter
dibenzyl ketone
FL/FR
citrus
styralyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
citronellal
FL/FR
laevo-
citronellol
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
farnesyl acetate
FL/FR
geranium oil egypt
FL/FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium rose oil
FL/FR
geranyl phenyl acetate
FL/FR
neryl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl anthranilate
FL/FR
phenyl acetic acid
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
laevo-
rose oxide
FL/FR
fruity
acetoin acetate
FL/FR
allyl isovalerate
FL/FR
iso
amyl hexanoate
FL/FR
para-
anisyl alcohol
FL/FR
benzyl alcohol
FL/FR
benzyl isovalerate
FL/FR
citronellyl anthranilate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
methyl 2-methyl valerate
FL/FR
neryl isovalerate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 2
FL/FR
green
geranyl acetate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
marigold pot absolute
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
rose oil (rosa centifolia) morocco
FL/FR
honey
benzyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
medicinal,
phenethyl salicylate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
waxy
geranyl propionate
FL/FR
methyl 10-undecenoate
FL/FR
nonanol
FL/FR
 
Potential Uses:
FRapple
FRrose
 
Occurrence (nature, food, other):note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.20%
Data GC Search Trop Picture
 orange fruit juice
Search Trop Picture
 peppermint oil
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 
Synonyms:
 butanoic acid, 3-methyl-, octyl ester
 butyric acid, 3-methyl-, octyl ester
3-methyl butanoic acid octyl ester
 octyl 3-methyl butanoate
 octyl 3-methyl butyrate
 octyl 3-methylbutanoate
 octyl 3-methylbutyrate
 octyl iso valerate
 octyl isopentanoate
N-octyl isovalerate
 octyl isovalerate natural
 octyl isovalerianate
N-octyl-3-methyl butyrate
 octyl-iso-valerate
isovaleric acid octyl ester
isovaleric acid, octyl ester
 
 
Notes:
Flavouring agent
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