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

octyl octanoate
octanoic acid, octyl ester

Supplier Sponsors

Name:octyl octanoate
CAS Number: 2306-88-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-980-5
FDA UNII:MM00XO86JQ
Nikkaji Web:J115.088J
MDL:MFCD00129710
CoE Number:395
XlogP3-AA:6.50 (est)
Molecular Weight:256.42944000
Formula:C16 H32 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
JECFA Food Flavoring:177 octyl octanoate
FLAVIS Number:09.114 (Old)
DG SANTE Food Flavourings:09.114 octyl octanoate
FEMA Number:2811 octyl octanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2306-88-9 ; OCTYL OCTANOATE
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:0.85900 @ 25.00 °C.
Refractive Index:1.43500 @ 20.00 °C.
Melting Point: -18.00 to -17.00 °C. @ 760.00 mm Hg
Boiling Point: 306.00 to 307.00 °C. @ 760.00 mm Hg
Boiling Point: 192.00 to 193.00 °C. @ 30.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 283.00 °F. TCC ( 139.44 °C. )
logP (o/w): 6.899 (est)
Soluble in:
 alcohol
 water, 0.06006 mg/L @ 25 °C (est)
Similar Items:note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
coconut oily fruity
Odor Description:at 100.00 %. coconut oily fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: emollients
 
Suppliers:
BOC Sciences
For experimental / research use only.
Octyl Octanoate
Inoue Perfumery
OCTYL OCTANOATE
Penta International
OCTYL CAPRYLATE, Kosher, Halal
Sigma-Aldrich
Octyl octanoate, ≥98%, FG
Odor: coconut; oily; fruity; sweet
Certified Food Grade Products
Synerzine
Octyl Octanoate
Ungerer & Company
Octyl Caprylate
 
Safety Information:
Preferred SDS: View
European information :
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.
 
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 octanoate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.03 (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: 0.500002.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500001.00000
fruit ices: 0.500001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):2306-88-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61294
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:nwg
octyl octanoate
Chemidplus:0002306889
 
References:
 octyl octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2306-88-9
Pubchem (cid):61294
Pubchem (sid):135017438
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB33166
FooDB:FDB011175
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
iso
valeraldehyde diethyl acetal
FL/FR
anisic
anisic
amyl furoate
FL/FR
buttery
acetyl butyryl
FL/FR
coconut
delta-
heptalactone
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl cyclohexyl hexanoate
FL/FR
allyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
ethyl linoleate
FL/FR
ethyl undecylenate
FL/FR
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
apple blossom fragrance
FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
methyl citronellate
FL/FR
rose butanoate
FL/FR
fruity
allyl butyrate
FL/FR
allyl heptanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl nonanoate
FL/FR
decyl butyrate
FL/FR
dodecyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-octenoate
FL/FR
(R)-(-)-2-
heptanol
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
3-
hexanone
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
hexyl valerate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl nonanoate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
(Z)-3-
octen-1-ol
FL/FR
octyl heptanoate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
2-
undecanone
FL/FR
green
ethyl (E)-4-decenoate
FL/FR
3-
heptanone
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
iso
propyl decanoate
FL/FR
herbal
benzyl octanoate
FL/FR
butyl levulinate
FL/FR
beta-
elemene
FL/FR
5-
methyl-3-heptanone
FL/FR
musk
musk nonane
FR
oily
petal pyranone
FL/FR
tropical
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
3-
decanone
FL/FR
(Z)-4-
decen-1-ol
FL/FR
9-
decenoic acid
FL/FR
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
methyl butyl phenyl acetate
FL/FR
methyl undecanoate
FR
(E)-2-
octen-1-yl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
phytyl acetate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl hexanoate
FL/FR
amyl furoate
FL/FR
benzyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
3-
decanone
FL/FR
(Z)-4-
decen-1-ol
FL/FR
decyl propionate
FL/FR
dodecyl isobutyrate
FL/FR
beta-
elemene
FL/FR
ethyl linoleate
FL/FR
(R)-(-)-2-
heptanol
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
hexyl valerate
FL/FR
massoia bark oil
FL
methyl (E,Z)-2,4-decadienoate
FL/FR
5-
methyl hexanoic acid
FL
3-
methyl-2-cyclopenten-1-one
FL
(E)-2-
octen-1-yl butyrate
FL/FR
octyl heptanoate
FL/FR
phytyl acetate
FL/FR
iso
propyl decanoate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
valeraldehyde diethyl acetal
FL
iso
valeraldehyde diethyl acetal
FL/FR
bitter
bitter
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
creamy
acetyl butyryl
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
allyl octanoate
FL/FR
coconut absolute
FL/FR
ethyl (E)-4-decenoate
FL/FR
ethyl undecylenate
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
(E)-
geranyl acetone
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
methyl citronellate
FL/FR
fruity
allyl heptanoate
FL/FR
iso
amyl isobutyrate
FL/FR
(E)-2-
decenoic acid
FL
decyl butyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-octenoate
FL/FR
geranyl hexanoate
FL/FR
3-
hexanone
FL/FR
hexyl phenyl acetate
FL/FR
5-
methyl-3-heptanone
FL/FR
rose butanoate
FL/FR
green
allyl butyrate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
hexyl 2-methyl butyrate
FL/FR
methyl 2-undecynoate
FL
3-(5-
methyl-2-furyl) butanal
FL
(E)-2-
octen-1-yl acetate
FL/FR
herbal
butyl levulinate
FL/FR
ketonic
3-
heptanone
FL/FR
lactonic
delta-
heptalactone
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
oily
petal pyranone
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
9-
decenoic acid
FL/FR
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
2-
undecanone
FL/FR
winey
iso
amyl nonanoate
FL/FR
methyl nonanoate
FL/FR
 
Potential Uses:
FRcherry
FRplum
 
Occurrence (nature, food, other):note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data GC Search Trop Picture
 plum fruit
Search Trop Picture
 
Synonyms:
 octanoic acid octyl ester
 octanoic acid, octyl ester
 octyl caprylate
N-octyl caprylate
 octyl octylate
 

Articles:

PubMed:Base-free direct oxidation of 1-octanol to octanoic acid and its octyl ester over supported gold catalysts.
PubMed:Olfactory eavesdropping between two competing stingless bee species.
PubMed:Phytochemical analysis and allelopathic activity of essential oils of Ecballium elaterium A. Richard growing in Iran.
PubMed:Chemical composition, allelopatic and antimicrobial potentials of the essential oil of Zosima absinthifolia (Vent.) Link fruits from Iran.
PubMed:Spitting out information: Trigona bees deposit saliva to signal resource locations.
PubMed:Preparation of cadmium sulfide nanoparticles in self-reproducing reversed micelles.
PubMed:Intestinal absorption enhancement of the ester prodrug tenofovir disoproxil fumarate through modulation of the biochemical barrier by defined ester mixtures.
PubMed:Vitamin A and vitamin A palmitate stability over time and under UVA and UVB radiation.
PubMed:Enzyme catalysis in multiphase systems: direct determination of water distribution.
PubMed:Chemistry of mandibular and Dufour's gland secretions of ants in genusMyrmecocystus.
PubMed:Isolation and characterization of a fatty acyl esterase from rat lung.
PubMed:Alarm substances of the stingless bee,Trigona silvestriana.
 
Notes:
Flavouring agent
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy