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

propyl octanoate
octanoic acid, propyl ester

Supplier Sponsors

Name:propyl octanoate
CAS Number: 624-13-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-830-7
Nikkaji Web:J115.086C
Beilstein Number:1759126
MDL:MFCD00056317
CoE Number:10892
XlogP3-AA:4.00 (est)
Molecular Weight:186.29474000
Formula:C11 H22 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
FLAVIS Number:09.816 (Old)
DG SANTE Food Flavourings:09.816 propyl octanoate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86100 to 0.86700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.164 to 7.214
Refractive Index:1.41800 to 1.42400 @ 20.00 °C.
Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.090000 mmHg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.78 °C. )
logP (o/w): 4.352 (est)
Soluble in:
 alcohol
 water, 10.87 mg/L @ 25 °C (est)
Insoluble in:
 water
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
octyl octanoate
phenethyl octanoate
isopropyl octanoate
sulfuryl octanoate
 
Organoleptic Properties:
Odor Type: coconut
Odor Strength:medium
coconut cocoa cognac winey fatty
Odor Description:at 100.00 %. coconut caco gin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
n-PROPYL OCTANOATE NATURAL
Odor: Wine, Slightly Fatty
BOC Sciences
For experimental / research use only.
Propyl Octanoate
ECSA Chemicals
Propyl Caprylate
Company Profile
Inoue Perfumery
PROPYL OCTANOATE
Naturamole
propyl octanoate 98% natural EU
Penta International
PROPYL CAPRYLATE NATURAL
Penta International
PROPYL CAPRYLATE
Reincke & Fichtner
Propyloctanoate
SRS Aromatics
PROPYL CAPRYLATE
TCI AMERICA
For experimental / research use only.
Propyl n-Octanoate >98.0%(GC)
 
Safety Information:
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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 403, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 403, 1988.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for propyl octanoate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.60 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): 10.00000100.00000
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):

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):624-13-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69351
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
propyl octanoate
Chemidplus:0000624135
RTECS:RH0786500 for cas# 624-13-5
 
References:
 propyl octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:624-13-5
Pubchem (cid):69351
Pubchem (sid):135027765
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
CHEBI:View
HMDB (The Human Metabolome Database):Search
YMDB (Yeast Metabolome Database):YMDB01360
Export Tariff Code:2915.90.8000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
balsamic
cinnamyl butyrate
FL/FR
cheesy
2-
heptanone
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
coconut
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
hexahydrocoumarin
CS
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
gamma-
octalactone
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
creamy lactone
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
methyl acetate
FL/FR
fatty
butyl undecylenate
FL/FR
lauric acid
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl decanoate
FL/FR
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
brandy extract
FL/FR
gamma-
decalactone
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
4-
heptanone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
green
alpha-
decalactone
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
methyl heptadienone
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
mint lactone
FL/FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
phenethyl octanoate
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
amyl decanoate
FL/FR
amyl octanoate
FL/FR
iso
butyl decanoate
FL/FR
coconut naphthalenone
FL/FR
alpha-
decalactone
FL/FR
decyl propionate
FL/FR
dimethyl benzofuranone
FL
delta-2-
dodecenolactone
FL/FR
ethyl (E)-3-octenoate
FL
hexanal diethyl acetal
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
massoia bark oil
FL
myristyl alcohol
FL/FR
4-
octen-3-one
FL
(R)-
tonka furanone
FL
wine lactone
FL/FR
cheesy
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
ethereal
ethyl formate
FL/FR
methyl acetate
FL/FR
fatty
2-
tridecanone
FL/FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
brandy extract
FL/FR
gamma-
decalactone
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
4-
heptanone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
bitter
orange peel oil brazil
FL/FR
phenethyl octanoate
FL/FR
green
(E)-2-
hexen-1-yl valerate
FL/FR
methyl heptadienone
FL/FR
4-
methyl-2-pentenal
FL
herbal
anthemis nobilis flower oil roman
FL/FR
lactonic
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
soapy
1-
dodecanol
FL/FR
waxy
butyl undecylenate
FL/FR
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
cinnamyl butyrate
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FLchocolate cacao
FRcoconut
FLgin
FLtropical
 
Occurrence (nature, food, other):note
 apricot fruit
Search Trop Picture
 brandy
Search PMC Picture
 cognac
Search PMC Picture
 glehnia littoralis
Search Trop Picture
 monstera deliciosa
Search Trop Picture
 plum fruit
Search Trop Picture
 wine
Search Picture
 
Synonyms:
 octanoic acid propyl ester
 octanoic acid, propyl ester
 propyl caprylate
 propyl caprylate natural
N-propyl octanoate
 
 
Notes:
None found
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